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Journal articles on the topic 'Heterocyclic compound'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Luna, Isadora Silva, Rayssa Marques Duarte da Cruz, Ryldene Marques Duarte da Cruz, Rodrigo Santos Aquino de Araújo, and Francisco Jaime Bezerra Mendonça-Junior. "1,4-Dithiane-2,5-diol: A Versatile Synthon for the Synthesis of Sulfur-containing Heterocycles." Current Organic Synthesis 15, no. 8 (2018): 1026–42. http://dx.doi.org/10.2174/1570179415666180821154551.

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Background: 1,4-Dithiane-2,5-diol (1,4-DTD) is the stable dimer of α-mercapto acetaldehyde. This commercially available ambidentade compound is characterized as having in its chemical structure one group that acts as an electrophile and another that acts as a nucleophile, this permits its use as versatile and efficient synthon in synthetic heterocycle procedures. Objective: The aim of this review is to present synthetic applications of 1,4-DTD in heterocyclic chemistry and their applicability to the synthesis of bioactive compounds. Conclusion: Gewald reactions to obtain C-4 and C-5 unsubstitu

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2

Palaniappan, Saravana Priya. "Pharmacological Role of Heterocyclic Compounds in the Treatment of Alzheimer’s Disease: A Review." Journal of Phytopharmacology 11, no. 4 (2022): 289–94. http://dx.doi.org/10.31254/phyto.2022.11412.

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Alzheimer’s disease (AD) is a multifactorial neurological disease that mainly affects the old age people. Neuropathologically, AD is characterized by low level of acetylcholine, loss of synapses and neurons in certain brain regions, accumulation of extracellular amyloid beta peptide (Aβ) and phosphorylation of intracellular tau protein. Patients with AD are characterized by various symptoms such as memory deficits, depression, cognitive dysfunction and difficult to perform daily activities. Currently available drugs for the treatment of AD are used to treat symptomatic relief at an early stage

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3

Mr., Mayur Ashok Patkari, Roshan M. Chaudhari Mr., Hitendra S. Chaudhari Mr., and S. P. Pawar Dr. "A Review on Heterocyclic Compound Containing Anticancer Agent, As A Medicinal Chemistry Perspective." Journal of Advances in Clinical Pharmacology 2, no. 1 (2023): 27–38. https://doi.org/10.5281/zenodo.10279377.

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<i>One of the main causes of death in the globe is cancer. Cancer is caused by gene and protein regulation errors in cells. Despite their side effects, surgery, radiation therapy, and the use of anticancer drugs constitute the contemporary cancer therapy. Heterocyclic chemistry is the general field of study. The article's goal is to cover the most current developments in heterocyclic nitrogen compounds as potential cancer chemotherapeutic agents. Heterocyclics make up more than 80% of new medications, and those that contain nitrogen have better pharmacological effects than those that do not. C

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4

Shekarkhand, Marzieh, Karim Zare, Majid Monajjemi, Elham Tazikeh-Lemeski, and Masoumeh Sayadian. "Computational study of heterocyclic anticancer compounds through nbo method." Nexo Revista Científica 35, no. 01 (2022): 367–81. http://dx.doi.org/10.5377/nexo.v35i01.13982.

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In the present study NBO method contain the HOMO and the LUMO energies are calculated for 10 different heterocycles anticancer drug using B3LYP/6-31G(d,p). Frontier molecular orbitals (HOMO and LUMO) and Molecular Electrostatic Potential map of the compound was produced by using the π stacking of structures and anticancer activity of molecules. The NBO analysis was suggested that the molecular system contains π- π interaction, strong conjugative interactions and the molecule become more polarized owing to the movement of π-electron cloud from donor to acceptor. NBO, HOMO and LUMO energies, wer

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5

Rana, Rashmi, and Anam Ansari. "Synthesis of 7-Membered Heterocyclic Compounds and Their Biological Activity." Journal of Physics: Conference Series 2603, no. 1 (2023): 012058. http://dx.doi.org/10.1088/1742-6596/2603/1/012058.

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Abstract Heterocyclic compounds are an important class of organic compound. Owing to their usefulness in synthetic processes, numerous heterocyclic compounds are currently known, and this number is growing quickly. The uses of heterocyclic compounds are numerous. They are mostly used as veterinary goods, agricultural chemicals, and medications. Additionally, they are used as sanitizers, cleansers, antioxidants, corrosion inhibitors, co-polymers, and dye ingredients. The ring of a heterocyclic compound contains at least two unique components as members. On such a cyclic ring, the frequent heter

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6

Gupta, Vivek Kumar, Baljeet Kaur, Amandeep Kaur, Amanpreet Kaur, and Monika Gupta. "Synthesis and Biological Evaluation of 1,3,4-Oxadiazolyl benzenesulphonyl benzimidazole derivatives." Indian Journal of Pharmaceutical and Biological Research 6, no. 02 (2018): 64–71. http://dx.doi.org/10.30750/ijpbr.6.2.10.

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Oxadiazoles are a class of heterocyclic aromatic chemical compound of azole family. Oxadiazole is five membered heterocycle having two carbons, two nitrogen, one oxygen and two double bonds. Oxadiazole exists in four isomeric forms depending upon the position of nitrogen atom in the ring. Benzimidazole is a heterocyclic aromatic compound. This bicyclic compound consists of fusion of benzene and imidazole. Benzimidazole may also be considered as cyclic analogues of imidines due to tautomerism effect. In the present study involves synthesis of1,3,4-oxadiazolyl benzenesulphonylbenzimidazole deriv

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7

Paronikyan, Ervand G., Shushanik Sh Dashyan, Suren S. Mamyan, et al. "Synthesis and Psychotropic Properties of Novel Condensed Triazines for Drug Discovery." Pharmaceuticals 17, no. 7 (2024): 829. http://dx.doi.org/10.3390/ph17070829.

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The exploration of heterocyclic compounds and their fused analogs, featuring key pharmacophore fragments like pyridine, thiophene, pyrimidine, and triazine rings, is pivotal in medicinal chemistry. These compounds possess a wide array of biological activities, making them an intriguing area of study. The quest for new neurotropic drugs among derivatives of these heterocycles with pharmacophore groups remains a significant research challenge. The aim of this research work was to develop a synthesis method for new heterocyclic compounds, evaluate their neurotropic and neuroprotective activities,

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8

Sajida. Munadi. Th.AL-Suraify and Mohammed Abdul-Mounther Othman. "Synthesis and study of spectrally diagnosed heterocyclic compound." International Journal of Research in Pharmaceutical Sciences 11, SPL4 (2020): 2613–22. http://dx.doi.org/10.26452/ijrps.v11ispl4.4527.

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In general terms, medicinal chemistry manages the revelation & plan of recent remedial synthetic concoctions & its uses as meds. Throughout the most recent couple of decades, mixes bearing heterocyclic cores have gotten considerably more consideration of the scientific expert, because of their expansive chemo remedial exercises, for example, calming, anthelmintic, hostile to tubercular, against parasitic & hostile to microbial exercises. Furthermore, Heterocycles & medicines are both interred related, the human is totally dependent on drugs & most of the drugs are derived f

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9

Sharad K. Awate, Suresh V. Patil, Ravindra S. Dhivare, and Renukacharya G. Khanapure. "Microwave-Assisted Synthesis, Characterization and Antimicrobial Potencies of N-Substituted Iminothiazodin-4-One Derivatives." International Journal of Research in Pharmaceutical Sciences 11, no. 1 (2020): 589–95. http://dx.doi.org/10.26452/ijrps.v11i1.1861.

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The biggest and most multifaceted class of organic compounds includes heterocyclic compounds. Currently, several heterocyclic compounds are identified, and persistently gratefulness to tremendous synthetic work and synthetic usefulness, the number is increasing exponentially. In most fields of science, including medicinal, pharmaceutical, and agro-chemistry, heterocyclic compounds have a function, and biochemistry is also another area. In this research article, the green approach is administered for achieving the nitrogen, oxygen and sulphur centered five-membered heterocyclic derivatives. By

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10

Sharad, K. Awate, V. Patil Suresh, S. Dhivare Ravindra, and G. Khanapure Renukacharya. "Microwave-Assisted Synthesis, Characterization and Antimicrobial Potencies of N-Substituted Iminothiazodin-4-One Derivatives." International Journal of Research in Pharmaceutical Sciences 11, no. 1 (2020): 589–95. https://doi.org/10.26452/ijrps.v11i1.1861.

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<strong>Abstract</strong> The biggest and most multifaceted class of organic compounds includes heterocyclic compounds. Currently, several heterocyclic compounds are identified, and persistently gratefulness to tremendous synthetic work and synthetic usefulness, the number is increasing exponentially. In most fields of science, including medicinal, pharmaceutical, and agro-chemistry, heterocyclic compounds have a function, and biochemistry is also another area. In this research article, the green approach is administered for achieving the nitrogen, oxygen, and sulphur centered five-membered he

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11

Sultana Pilli Archana, Shafia. "Anti Cancer Activity of Naturally Occurring Heterocyclic Compound." International Journal of Science and Research (IJSR) 12, no. 4 (2023): 195–200. http://dx.doi.org/10.21275/sr23330111844.

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12

Journal, Baghdad Science. "Synthesis of some Heterocyclic Compounds Derived from." Baghdad Science Journal 10, no. 3 (2013): 525–36. http://dx.doi.org/10.21123/bsj.10.3.525-536.

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The 4-(?-bromo acetyl)-4?-toluene sulfonanilide (2) was used as key intermediate to synthesize new heterocyclic compounds. This bromo compound was synthesized via sulfonation of amino group of p-amino acetophenone using Hinsburg method with 4-toluene sulfonyl chloride to form 4-acetyl-4?-toluene sulfonanilide (1) which is used as a starting material in this work. This compound was brominated to yield compound (2) which is used as a precursor to synthesize new five and seven membered heterocyclic compounds such as substituted 1,3-oxazoles (3,4), 1,3-thiazole derivatives (5-7), thiourea compound

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13

Engin, Saka, Akkoç Senem, and Coban Burak. "Synthesis, DNA Interaction and Cytotoxic Activity Studies of a Novel 2,1,3-Benzothiadiazole-Benzimidazole Derivative." Pharmaceutical and Chemical Journal 7, no. 3 (2020): 82–89. https://doi.org/10.5281/zenodo.13954528.

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Benzimidazoles and benzothiodiazoles are biologically active heterocyclic compounds. In here, a new compound 4-(1<em>H</em>-benzimidazol-2-yl)-7-bromo-2,1,3-benzothiodiazole containing both heterocyclic ring systems was prepared. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the new compound was calculated using the Spartan 10 program. The compound binds to DNA with a moderate strength, and the cytotoxic activity studies show that the relative compound has no antiproliferative activity against cancer cell lines.

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14

Tolba, Mahmoud S., Mostafa Sayed, Shaban A. A. Abdel-Raheem, Taher A. Gaber, Adel M. Kamal El-Dean, and Mostafa Ahmed. "Synthesis and spectral characterization of some new thiazolopyrimidine derivatives." Current Chemistry Letters 10, no. 4 (2021): 471–78. http://dx.doi.org/10.5267/j.ccl.2021.4.004.

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Thiazolopyrimidnes are considered one of the most interesting classes in heterocyclic chemistry due to their pharmaceutical importance. Herein, we report the synthesis of some new heterocyclic compounds containing thiazolopyrimidine starting from compound (1) which was previously prepared in literature. The starting compound was allowed to react with different alkylating agents such as chloroacetone, chloroacetyl chloride, and phenacyl bromide to afford derivatives (2-4). Compound (5), benzylidene derivative, was obtained by the reaction of compound (2) with benzaldehyde while amino-dicarbonit

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15

Salem, Manar G., Dina M. Abu El-Maaty, Yassmina I. Mohey El-Deen, et al. "Novel 1,3-Thiazole Analogues with Potent Activity against Breast Cancer: A Design, Synthesis, In Vitro, and In Silico Study." Molecules 27, no. 15 (2022): 4898. http://dx.doi.org/10.3390/molecules27154898.

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Breast cancer is the most common cancer in women, responsible for over half a million deaths in 2020. Almost 75% of FDA-approved drugs are mainly nitrogen- and sulfur-containing heterocyclic compounds, implying the importance of such compounds in drug discovery. Among heterocycles, thiazole-based heterocyclic compounds have demonstrated a broad range of pharmacological activities. In the present study, a novel set of 1,3-thiazole derivatives was designed and synthesized based on the coupling of acetophenone derivatives, and phenacyl bromide was substituted as a key reaction step. The activity

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16

Priyanka, P., S. Sivapriya, M. Gopalakrishnan, S. Pazhamalai, M. Seenivasan, and H. Manikandan. "Synthesis, Characterization and DFT Calculations of a Novel Pyrazole Derivative 4-(1-Phenyl-5-(p-Tolyl)-2,5-Dihydro-1H-Pyrazol-3-Yl)Benzo[c][1,2,5]Oxadiazole." Materials Science Forum 1048 (January 4, 2022): 227–38. http://dx.doi.org/10.4028/www.scientific.net/msf.1048.227.

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s Heterocyclic compounds like pyrazoline was synthesized along to the reaction of phenyl hydrazine hydrochloride with 3-(benzo [c][1,2,5] oxadiazol-4-yl)-1-phenylprop-2-en-1-one undergoing in reflux condition. This compound going to begood yields.A thoroughly fresh compound wasindicating by IR, 1H, and 13C elemental analysis. Stimulate the calculated HOMO/LUMO, MEP and mulliken population analysis and NLO was compare to the experimental analysis of this data. The optimized theoretical structure parameters betide collate to the satisfied assent with the experimental structure. Keywords: Pyrazol

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17

Ghafil, Amer, and Shaimaa Adnan. "Synthesis and Characterization of Heterocyclic Derivatives from 5-Aminotetrazole and Investigation of Their Biological Activities." INDIAN JOURNAL OF HETEROCYCLIC CHEMISTRY 34, no. 01 (2024): 107. http://dx.doi.org/10.59467/ijhc.2024.34.107.

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This study included the synthesis of some new heterocyclic compounds starting with 5-aminotetrazole, which reacted with 2-hydroxy-4-methoxybenzaldehyde to get compound 1. Then, 1 was converted to a Schiff base (2) derivative by reacting 1 with 2-aminothiazole. Then, compound 2 was reacted with different compounds, namely alanine, 2-mercaptoacetic acid, 2-aminobenzoic acid, phthalic anhydride, and malic anhydride, leading to the heterocyclic products imidazolidine (3), thiazolidine (4), quinazoline (5), and oxazepane (6) derivatives, respectively. All these compounds are characterized by 13C-NM

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18

Shafi, S. Syed, R. Rajesh, R. Subaash, and S. Senthil kumar. "Analysis of New Piperidine Substituted Benzothiazole Crystalline Derivatives." Oriental Journal Of Chemistry 37, no. 5 (2021): 1158–66. http://dx.doi.org/10.13005/ojc/370521.

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Recently, heterocyclic compounds play important role in drug industries. The benzothiazole (BTA) is a bicyclic compound in heterocyclic because of their biological properties. In this paper the synthesis and characterization of benzothiazole were reported. The chemical structures of synthesized compounds were established based on spectral data of 1HNMR, 13CNMR, and IR. The mass of the novel compounds was established with the help of the LCMS test. The formation of the crystal was confirmed by powder XRD and the sharp peaks show the purity and crystalline nature of the samples. The photolumines

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19

Mohammad, Asif, Abida, and Tauquir Alam Md. "A Review on Synthesis and Potential Biological Activities of Benzimidazole Derivatives: An Important Scaffold in Drug Discovery." Research and Advances in Pharmacy and Life Sciences 2, no. 1 (2020): 42–63. https://doi.org/10.5281/zenodo.3670007.

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<em>The uses heterocyclic ring containing compounds in medicinal chemistry is escalating day by day due to heterocyclic rings are included in the many biologically active compounds, which are necessary for life like proteins, nucleic acid and carbohydrates, natural pigments like chlorophyll, vitamins, and antibiotics and also in most of the drugs, pesticides and dyes. Benzimidazoleas is a versatile heterocycle compound possessing diverse types of biological activities like antiulcer, antimicrobial, antipsychotic, antiprotozoal, antihelminthic, anti-allergic, antiviral, antineoplastic and other

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20

Bassam A. Hassan, Hameedi N Nasera, and Maitham M. Abdulridha. "Synthesis and antimicrobial evaluation of fused heterocyclic compound [1,2,4] triazolo [4,3-b][1,2,4,5] tetra zine." International Journal of Research in Pharmaceutical Sciences 10, no. 2 (2019): 1254–58. http://dx.doi.org/10.26452/ijrps.v10i2.417.

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Nitrogen-containing, heterocycles, have special importance and vital, role in the discovery of effective bioactive, agents in the pharmaceutical, industry. The present article reports the synthesis of new fused, heterocycles triazolotetrazine by cyclo condensation, reaction as shown in scheme(1). The structures formula of synthesized compounds newly was evaluated by Ft-IR,1H-NMR spectrum, and C, H, N elemental analysis. Antimicrobial activity of triazolotetrazine studied against some pathogenic bacterial strains isolated from patients like Acinetobacter, Aeromonas, E. coli, Klebsiella, Staphyl

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21

Santhanalakshmi, K., K. Margandan, P. Manivannan, and Rosy P. Jacquline. "Pharmacological significance of Oxadiazole scaffold." Research Journal of Chemistry and Environment 25, no. 8 (2022): 177–88. http://dx.doi.org/10.25303/258rjce177188.

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Heterocycles come under an important branch of organic chemistry that contains at least one atom other than carbon as a part of ring system. The most common hetero atoms that are widely used are nitrogen, oxygen and sulphur. In synthetic organic chemistry, synthesis of heterocyclic compound is of immense interest due to its therapeutic applications and their existence in several natural products like vitamins, hormones, antibiotics and alkaloids. The oxadiazole nucleus is one of the most significant and well known heterocyclic compounds due to its broad range of pharmacological and therapeutic

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22

Q. Abdalla, Ibtihal. "Synthesis and Charactrization of some Hetrocyclic Compounds from Ninhydrin and Study of its Effect on Amylase Enzyme in Serum." Tikrit Journal for Dental Sciences 6, no. 1 (2023): 44–51. http://dx.doi.org/10.25130/tjds.6.1.8.

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Ninhydrin is a chemical compound that is commonly used in analytical chemistry. In this research, ninhydrin was utilized to prepare some heterocyclic derivatives. It was reacted with hydrazine to make compound (1), which was the starting material to synthesize other heterocyclic derivatives in this research. These compounds were characterized by (FT-IR) and (H-NMR) techniques. The biological effect of the prepared compounds were tested against the activity of amylase enzyme in serum. These compounds resulted in deactivating the amylase enzyme in a percentage rate of (11.43, 36.49) %, which pro

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23

Bąchor, Urszula, та Marcin Mączyński. "Selected β2-, β3- and β2,3-Amino Acid Heterocyclic Derivatives and Their Biological Perspective". Molecules 26, № 2 (2021): 438. http://dx.doi.org/10.3390/molecules26020438.

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Heterocyclic moieties, especially five and six-membered rings containing nitrogen, oxygen or sulfur atoms, are broadly distributed in nature. Among them, synthetic and natural alike are pharmacologically active compounds and have always been at the forefront of attention due to their pharmacological properties. Heterocycles can be divided into different groups based on the presence of characteristic structural motifs. The presence of β-amino acid and heterocyclic core in one compound is very interesting; additionally, it very often plays a vital role in their biological activity. Usually, such

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24

Tan, Xiaojun, Mengyao Wu, Yilin Wang, Guizhi Shi, and Jinsong Gu. "Theoretical study on the reaction between silacyclopropenylidene and three-membered heterocyclic compounds (azirane and oxirane): An alternative approach to the formation of heterocyclic silylene." Progress in Reaction Kinetics and Mechanism 45 (January 2020): 146867832090205. http://dx.doi.org/10.1177/1468678320902059.

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The reaction mechanism between silacyclopropenylidene and three-membered heterocyclic compounds (azirane and oxirane) has been systematically investigated at the B3LYP/6-311+G* level of theory in order to better understand the reactivity of unsaturated cyclic silylene. Geometry optimizations and vibrational analyses have been conducted for the stationary points on the potential energy surface of the system. Calculations show that the Si-spiroheterocyclic intermediate and four-membered heterocyclic silylene compound could be produced through the insertion process and subsequent dissociation pro

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25

Dr., Vinayak Vishram Kadam. "Synthesis and Applications of Heterocyclic Compounds: A Short Review." INTERNATIONAL JOURNAL OF INNOVATIVE RESEARCH AND CREATIVE TECHNOLOGY 10, no. 1 (2024): 1–6. https://doi.org/10.5281/zenodo.10544262.

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In everyday in the life, heterocyclic compounds are used and they are highly fascinating. Heteroatoms can be found in one or more heterocyclic compounds' structural elements. They could have a cyclical or non-cyclic structure. Chemicals classified as heterocyclic have one or more rings containing atoms other than carbon. Neon, oxygen, sulfur, and other elements are examples of these heteroatoms. Medicinal chemistry, materials science, and many other disciplines place great emphasis on the synthesis and uses of heterocyclic molecules. Heterocyclic compounds can be incorporated into polymers to

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Zena Ayad Noori, Tabarak Ali Hussein Mahdi, Walid Khaled Obaid, Rusul Abather Mohsen, Safaa Kamel Abdul Razzaq Ali, and Russul Jaleel Hassan. "Synthesis and Biological Evolution of Some Heterocyclic Derivatives." Texas Journal of Medical Science 23 (August 30, 2023): 75–79. http://dx.doi.org/10.62480/tjms.2023.vol23.pp75-79.

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Heterocyclic compounds, owing to their diverse applications including pharmaceuticals and industrial use, hold a prominent position within organic chemistry. This study focused on the synthesis and characterization of Schiff base compounds as a subset of heterocyclic molecules. Compound [N1] was synthesized by condensing 3,4 Diamino benzoic acid and 4-Dimethyl amino benzaldehyde, followed by subsequent reactions to yield compounds [N2], [N3], [N4], and [N5]. Each compound was characterized through Fourier-transform infrared spectroscopy (FTIR). The FTIR spectra exhibited distinctive absorption

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Vishal, Yalij*1 Mayur Suryawanshi2 Amol Shirode3 Vinod A. Bairagi4. "Antimicrobial Activity Of Indole, Benzimidazole And Benzotriazole And Application In Drug Discovery: Review." International Journal in Pharmaceutical Sciences 2, no. 4 (2024): 443–56. https://doi.org/10.5281/zenodo.10937937.

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Antibiotic resistance is often used to describe drug resistance, which occurs when bacteria, viruses, fungi, and parasites develop resistance to drugs intended to treat infections. Recent studies have confirmed that indole derivatives, heterocyclic benzimidazole derivatives and benzotriazole derivatives have antimicrobial activity against various microorganisms. Indole derivatives have attracted wide attention due to their diverse biological and clinical applications. Indole derivatives have antimicrobial activity against various microorganisms, including MRSA. Benzimidazole is a heterocyclic

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Raneen. S. Al-Hilfi, Najlaa. Z. Al-Ameri 2, and Mouhanad. J. Al-Asadi. "One-Pot Synthesis, Antibacterial Activity and Study the Inhibition Corrosion on Carbone Steel Alloy in Acid Media of 5-Phenyl-1,3,5-Dithiazinane & Cationic Surfactants." Journal of Kufa for Chemical Sciences 2, no. 9 (2023): 212–25. http://dx.doi.org/10.36329/jkcm/2022/v2.i9.13295.

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This research involves synthesis of heterocyclic compounds (5-Phenyl-1,3,5-dithiazinane) by using one-pot method and cationic surfactants as quaternary ammonium salts (5-phenyl-5-tetradecyl-1,3,5-dithiazinan-5-ium bromide and N-tetradecylbenzenaminium bromide), which contains structural sulfur, nitrogen, and hydrocarbon tail in the molecule. The synthesized compounds were used as an inhibitor of corrosion in petroleum pipelines were used by the Basra Oil Company. The compounds (a, b, and c) were identified by FT – IR and 1H NMR spectroscopies, GC – mass spectrometry. The antibacterial ac

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Drapak, І. V. "In silico screening of drug-like molecules for the treatment of cardiovascular diseases on the basis of five-membered privileged heterocycles." Farmatsevtychnyi zhurnal, no. 4 (September 10, 2019): 61–72. http://dx.doi.org/10.32352/0367-3057.4.19.07.

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Among various heterocyclic systems, the derivatives of five-membered heterocycles are of special interest. Most of the above mentioned heterocycles are treatred as so-called privileged structures in modern medicinal chemistry. In silico screening among five-membered heterocycles of molecules for the treatment of cardiovascular diseases is actual. The aim of the work was the search for synthetic drug-like molecules based on functionalized five-membered heterocycles and related heterocyclic systems as an element of the theoretical platform for rational design of compounds acting on the car

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Chmovzh, Timofey, Ekaterina Knyazeva, Olga Ustimenko, and Oleg Rakitin. "3,6-Dibromopyridazine-4,5-diamine." Molbank 2019, no. 1 (2019): M1053. http://dx.doi.org/10.3390/m1053.

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Dihalogenated derivatives of 1,2,5-chalcogenadiazoles fused with benzene or heterocyclic rings are of interest as starting compounds for photovoltaic materials. The 1,2,5-chalcogenadiazole ring in these heterocycles was most commonly prepared from the corresponding ortho-diamine moiety. In this communication, 3,6-dibromopyridazine-4,5-diamine was prepared via the reaction of 4,7-dibromo[1,2,5]thiadiazolo[3,4-d]pyridazine with sodium methoxide in THF by heating at reflux for four hours. The structure of the newly synthesized compound was established by means of high resolution mass-spectrometry

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Tailor, Hiral S. "Synthesis of some Novel Heterocyclic Compound and their Antimicrobial Activity." International Journal of Scientific Research 3, no. 6 (2012): 35–36. http://dx.doi.org/10.15373/22778179/june2014/169.

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Böhm, Stanislav, and Josef Kuthan. "Quantum chemical prediction of 2H-pyran vibration spectrum." Collection of Czechoslovak Chemical Communications 55, no. 1 (1990): 10–20. http://dx.doi.org/10.1135/cccc19900010.

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Ab initio MO optimalization of the 2H-pyran molecule leads to a defined equilibrium geometry of this so far not identified heterocyclic molecule and to a physical justification of its existence. More advanced nonempirical wavefunctions and temperature corrections indicate that heterocyclic molecule I is energetically less stable than non-cyclic isomers II and III. Wavenumbers of fundamental vibrational transitions of heterocycle I and also known (2E)-2,4-pentadienal (IIIb were calculated using 3-21 G wavefunctions. The vibrational spectrum of compound I is predicted on the basis of correlation

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F. Al burgus, Abdallah, Omar T. Ali, and Omar Y. Mohammad. "Synthesis and in vitro screening of benzo[h]coumarinyl heterocycles as promising antibacterial agents." Bulletin of the Chemical Society of Ethiopia 38, no. 6 (2024): 1815–26. http://dx.doi.org/10.4314/bcse.v38i6.24.

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In this study, benzo[h]coumarin and the corresponding substituted chalcones were designed and synthesized. These compounds have been used as a precursor to prepare various heterocyclic compounds like pyrimidines, pyrazole, pyrazole-1-carbothioamide, diazepines, oxazepines, isoxazoles and epoxides. The structures of the synthesized compounds were confirmed by FT-IR, 1H and 13C-NMR spectroscopy. These target heterocyclic derivatives were biologically screened against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) pathogenic bacteria. The best obtained result was for compound (6

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KRISHNA, C. JOSHI. "Fluorine containing Bioactive Heterocycles." Journal of Indian Chemical Society Vol. 63, Feb 1986 (1986): 187–90. https://doi.org/10.5281/zenodo.6253363.

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Department of Chemistry, University of Rajasthan, Jaipur-302 004 In recent decades, there has been considerable interest in medical applications and biochemistry of organic compounds containing fluorine. The discovery of 5-fluoronracil in the fifties is a classical example of a heterocyclic compound where the replacement of even one hydrogen by a fluorine atom led to great modification in biological activity of the parent non-fluorinated heterocycle. This presentation gives a background to this exciting new area in organic chemistry and briefly describes some of the recent work in the author&#

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Chaudhary, Manish, Deepali Gupta, Saumik Chaudhury, and Paranjeet Kaur. "Emerging Heterocyclic Compounds for the Management of Prostate Cancer." Asian Pacific Journal of Health Sciences 8, no. 4 (2021): 49–56. http://dx.doi.org/10.21276/apjhs.2021.8.4s.9.

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Background: This review is an overview of emerging heterocyclic compound classes that might give a safe and effective treatment for prostate cancer.Main body: Most heterocyclic compounds or heterocyclic fragments present in most of the anticancer pharmaceuticals presently in market and are versatile with unique physicochemical properties. Most of anticancer research is being capitalized on the intrinsic versatility and dynamic core of heterocyclic compounds. In this review we shall focus on moieties that are suitable for prostate cancer therapy along with addressing their biochemical modes of

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Kumar, Sushil, Maneesha D. Sati, and S. C. Sati. "Synthesis And Biological Evaluation Of Benzimidazole Derivatives." IOSR Journal of Applied Chemistry 17, no. 12 (2024): 13–18. https://doi.org/10.9790/5736-1712011318.

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Benzimidazoles are a class of heterocyclic compounds in which a benzene ring is fused to the 4 and 5 positions of an imidazole ring. Benzimidazole refers to the parent compound, while benzimidazoles are a class of heterocyclic compounds having similar ring structures, but different substituents. Benzimidazole derivatives possess a wide range of bioactivities including antimicrobial, anthelmintic, antiviral, anticancer, and antihypertensive activities. Many compounds possessing a benzimidazole skeleton have been employed as drugs in the market. The application of benzimidazoles in other fields

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Pan, Bo-Wen, Liang-Liang Zheng, Yang Shi та ін. "Synthesis and Antiviral and Antitumor Activities of Novel 18β-Glycyrrhetinic Acid Derivatives". International Journal of Molecular Sciences 24, № 19 (2023): 15012. http://dx.doi.org/10.3390/ijms241915012.

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A series of novel derivatives of 18β-glycyrrhetinic acid (GA) were synthesized by introducing aromatic or heterocyclic structures to extend the side chain, thereby enhancing their interaction with amino acid residues in the active pocket of the target protein. These compounds were structurally characterized using 1H NMR, 13C NMR, and HRMS. The compounds were subsequently evaluated for their inhibitory effects on HIV-1 protease and cell viability in the human cancer cell lines K562 and HeLa and the mouse cancer cell line CT26. Towards HIV-1 protease, compounds 28 and 32, which featured the intr

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Ziarani, Ghodsi Mohammadi, Marzieh Rad, Fatemeh Mohajer, Hitesh Sehrawat, and Ravi Tomar. "Synthesis of Heterocyclic Compounds through Multicomponent Reactions Using 6-Aminouracil as Starting Reagent." Current Organic Chemistry 25, no. 9 (2021): 1070–95. http://dx.doi.org/10.2174/1385272825666210303112858.

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The analogs of 6-Amino uracil are essential components due to their biological activities. The uracil is used as an important component for the synthesis of heterocyclic compounds like pyrrolo-, pyrido-, pyrimidine-pyrimido scaffolds. Herein, the application of this compound is reviewed as a precursor in the synthesis of many heterocyclic cores from 2016 to 2020.

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Soni, Jay, Ayushi Sethiya, Nusrat Sahiba, Dinesh K. Agarwal, and Shikha Agarwal. "Contemporary Progress in the Synthetic Strategies of Imidazole and its Biological Activities." Current Organic Synthesis 16, no. 8 (2020): 1078–104. http://dx.doi.org/10.2174/1570179416666191007092548.

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: Heterocyclic compounds are pervasive in many areas of life and one of the heterocycles, imidazole is a unique heterocyclic five-membered aromatic compound having two sp2 hybridized nitrogen atoms. Its integral name is 1, 3 diazole and previously, it was known as glyoxalin. This moiety has achieved a considerable place among scientists in recent years by reason of its divergent synthetic strategies and uncommon biological and pharmacological activities, for example, anti-convulsant, anti-microbial, anti-cancer, anti-inflammatory, anti-tumor, anti-viral, anti-ulcer, analgesic, etc. Due to dist

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Marzi, Mahrokh, Mojtaba Farjam, Zahra Kazeminejad, Abolfazl Shiroudi, Amin Kouhpayeh, and Elham Zarenezhad. "A Recent Overview of 1,2,3-Triazole-Containing Hybrids as Novel Antifungal Agents: Focusing on Synthesis, Mechanism of Action, and Structure-Activity Relationship (SAR)." Journal of Chemistry 2022 (January 6, 2022): 1–50. http://dx.doi.org/10.1155/2022/7884316.

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A pharmacophore system has been found as 1,2,3-triazole, a five-membered heterocycle ring with nitrogen heteroatoms. These heterocyclic compounds can be produced using azide-alkyne cycloaddition processes catalyzed by ruthenium or copper. The bioactive compounds demonstrated antitubercular, antibacterial, anti-inflammatory, anticancer, antioxidant, antiviral, and antidiabetic properties. This heterocycle molecule, in particular, with one or more 1,2,3-triazole cores has been found to have the most powerful antifungal effects. The goal of this review is to highlight recent developments in the s

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Atalla, Ahmed A., Adel M. Kamal El-Dean, and Abd El-Fattah A. Harb. "Synthesis of some new heterocyclic compounds containing chromene." Collection of Czechoslovak Chemical Communications 56, no. 4 (1991): 916–22. http://dx.doi.org/10.1135/cccc19910916.

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2-amino-3-cyano-4H-phenyl-benzo[f]chromene (I) was reacted with formamide, acetic anhydride, and ethyl cyanoacetate to produce compounds (II-IV), respectively. Compound IV reacted with HCONH2, POCl3 and P2S5 to produce corresponding pyrimidobenzochromene (V), chloropyridobenzochromene (VI) and mercaptopyridobenzochromene (VII). Compound VII reacted with α-halocompounds to produce corresponding S-alkylated derivatives (VIIIa to VIIIc), and compound (VI) reacted with different amines to produce corresponding alkyl amino-, or aryl aminopyridobenzochromene (IXa-IXc) but in using hydrazine hydrate,

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Shubham, Khandare* Dinesh Kawade Dhananjay Tidke Nikita Gaikwad Ritik Jamgade. "Design, Docking and ADME-T Prediction of Novel Pyrimidine-Based Antimicrobials via the Biginelli Reaction." International Journal of Pharmaceutical Sciences 3, no. 3 (2025): 993–1007. https://doi.org/10.5281/zenodo.15012873.

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Pyrimidines are a crucial group of heterocycles in pharmaceutical research due to their antiviral, anticancer, antibacterial, and antioxidant properties. The heterocyclic compound 1,2,3,4-tetrahydropyrimidine (THPM) exhibits various therapeutic applications and is recognized as a significant pharmacologically active component. Our study assessed the antimicrobial efficacy of the designed compounds against various microorganisms, including Gram-positive and Gram-negative bacteria, as well as pathogenic fungi. These compounds were synthesized using either microwave or conventional methods, or th

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Yoshimura, Akira, Michael T. Shea, Cody L. Makitalo, et al. "Preparation, structure, and reactivity of bicyclic benziodazole: a new hypervalent iodine heterocycle." Beilstein Journal of Organic Chemistry 14 (May 8, 2018): 1016–20. http://dx.doi.org/10.3762/bjoc.14.87.

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A new bicyclic organohypervalent iodine heterocycle derivative of benziodazole was prepared by oxidation of 2-iodo-N,N’-diisopropylisophthalamide with m-chloroperoxybenzoic acid under mild conditions. Single crystal X-ray crystallography of this compound revealed a five-membered bis-heterocyclic structure with two covalent bonds between the iodine atom and the nitrogen atoms. This novel benziodazole is a very stable compound with good solubility in common organic solvents. This compound can be used as an efficient reagent for oxidatively assisted coupling of carboxylic acids with alcohols or a

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Al-Smaisim, Rafah F., Redha E. Al-Bayati, and Abdul Hussain K. Sharba. "Synthesis of New Heterocyclic compounds derived from Pyrazoline-5-one compound." Al Mustansiriyah Journal of Pharmaceutical Sciences 9, no. 1 (2011): 123–31. http://dx.doi.org/10.32947/ajps.v9i1.278.

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In this work new heterocyclic pyrazolin derivatives have been synthesized from diazonium chloride salt of 4-aminobenzoic acid: firstly, Azo compounds were prepared from the reaction of an ethanolic solution of sodium acetate and calculated amount of active methylene compound namely, (ethyl acetoacetate)obtain the corresponding hydrazono derivative (1). Secondly, Cyclocondensation reaction of compound (1) with hydrazine hydrate (2) in boiling ethanol affording the corresponding pyrazoline-5-one. Then compound (2) reacted with thionyl chloride to give the corresponding acid chloride derivative(3

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Amulya, Satsangi, Srivastava Shobhit, Yogi Bhumika, and Kumar Gupta Sujeet. "Benzothiazole: Heterocyclic Compound A Review." Pharmaceutical and Chemical Journal 9, no. 6 (2022): 24–29. https://doi.org/10.5281/zenodo.13980830.

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We have an unlimited supply of therapeutic molecules because to heterocyclic chemistry.<sup> </sup>The biological actions of the benzothiazole ring system include anxiolytic, ant allergic, cardiovascular, anti-diabetic, anti-psychotic and antioxidant effects etc. Such as benzothiazole moieties and their derivatives, are a major class of molecules in medicinal chemistry. They also offer a wide range of coordinative properties attributed to the combination of additional donor sites including nitrogen, sulphur, and oxygen atoms, which serve as a scaffold for the synthesis of new active molecules.

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Barat, Gaman G., and Mahesh R. Solanki. "Antimicrobial Study of Novel Triazoles Synthesized from Chalcones." Oriental Journal Of Chemistry 40, no. 3 (2024): 794–98. http://dx.doi.org/10.13005/ojc/400322.

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Heterocyclic compound such as quinazoline derivatives shows wide range of medicinal application in the area such as anticonvulsant, antitumor, antifungal, antimalaria, anti-hyperlipidemic and anti-inflammatory etc. activity because of these it shows great interest to study. In the presence study, we have synthesized triazole based quinazolinones by condensation reaction between α-methyl ketone and aromatic aldehydes under ethanol as the solvent to produced chalcones derivatives. This chalcone derivative have α, β-unsaturated part which is enhanced the reactivity of compound. Chalcone further r

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Saji.S, Silpa, Namitha K.N, and Shaiju S. Dharan. "Ferrocenyl Benzimidazole: A Promising Molecule." International Journal of Research and Review 9, no. 12 (2022): 95–108. http://dx.doi.org/10.52403/ijrr.20221211.

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Organometallic compound ferrocene formation was a serendipity and due to its "barrel-shape" which grants 3D geometry of the organometallic compound it has an optimal spatial design for better fitting and connection inside the pockets of the dynamic site in natural targets and receptors. The benzimidazole motif has developed to be a significant privileged heterocyclic platform. Ferrocenyl benzimidazole is a complex organic compound having ferrocene an organometallic compound attached to the 2-position of benzimidazole an aromatic heterocyclic compound. Ferrocene benzimidazole derivatives have a

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Kurian, Thomas. "Molecular Docking-Based Screening of Five Heterocyclic Quinone Compounds for Antifungal Activity on Yeast Sec14p and Validation by Redocking." Journal of Pharmaceutical Research 23, no. 2 (2024): 68–70. http://dx.doi.org/10.18579/jopcr/v23.2.31.

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Discover new antifungal drugs by evaluating the efficacy of heterocyclic compounds. Investigate the potential of yeast Sec14p protein as a target for antifungal drugs. Compare the effectiveness of Auto Dock and PyRX software for docking simulations of heterocyclic compounds against Sec14p. Docking simulations were performed using Auto Dock and PyRX software to assess the binding affinity of five specific heterocyclic compounds to the yeast Sec14p protein. The reference compound for comparison was a known antifungal agent with a Picolamide scaffold (PDB ID: 6FOE). Atovaquone exhibited the stron

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Kaddouri, Y., B. Bouchal, F. Abrigach, M. El Kodadi, M. Bellaoui, and R. Touzani. "Synthesis, Molecular Docking, MEP and SAR Analysis, ADME-Tox Predictions, and Antimicrobial Evaluation of Novel Mono- and Tetra-Alkylated Pyrazole and Triazole Ligands." Journal of Chemistry 2021 (February 23, 2021): 1–11. http://dx.doi.org/10.1155/2021/6663245.

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Newly synthesized compounds of N-alkylated heterocyclic compounds were prepared by condensation of amine with alcohol which undergoes a reaction of SN2. These newly synthesized derivatives were characterized by spectral analysis. The objective is to prepare new potent nontoxic antimicrobial agents which are easy to synthesize and could be scaled up in pharmaceutical industries. Thirteen new heterocyclic compounds containing a pyrazole moiety were synthesized with good yields (29.79 to 99.6%) and were characterized by FTIR, 1H NMR, 13C NMR, and CG-MS techniques. The compounds were divided into

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Shafiq, Iqra, Saadia Haq, Tayyaba Javed, et al. "Influence of benzothiophene acceptor moieties on the non-linear optical properties of pyreno-based chromophores: first-principles DFT framework." RSC Advances 14, no. 23 (2024): 15964–78. http://dx.doi.org/10.1039/d4ra00903g.

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Herein, a series of heterocyclic organic compounds (PYFD1–PYFD7) are designed with different acceptor moieties at the terminal position of a reference compound (PYFR) for nonlinear optical (NLO) active materials.

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