Relevant bibliographies by topics / Autodock vina 1.5.6

Contents

  1. Journal articles
  2. Book chapters
  3. Conference papers

Academic literature on the topic 'Autodock vina 1.5.6'

Author: Grafiati
Published: 7 June 2025
Last updated: 17 July 2025

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the lists of relevant articles, books, theses, conference reports, and other scholarly sources on the topic 'Autodock vina 1.5.6.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Journal articles on the topic "Autodock vina 1.5.6"

1

Yanuar, Arry, Rezi Riadhi Syahdi, and Widya Dwi Aryati. "PARAMETER OPTIMIZATION AND VIRTUAL SCREENING INDONESIAN HERBAL DATABASE AS HUMAN IMMUNODEFICIENCY VIRUS -1 INTEGRASE INHIBITOR USING AUTODOCK AND VINA." International Journal of Applied Pharmaceutics 9 (October 30, 2017): 90. http://dx.doi.org/10.22159/ijap.2017.v9s1.51_57.

Full text
Abstract:
Objective: Human immunodeficiency virus (HIV-1) is a virus that causes acquired immunodeficiency syndrome, a disease considered to be one of themost dangerous because of its high mortality, morbidity, and infectivity. The emergence of mutant HIV strains has led treatment to target proteaseas reverse transcriptase and integrase enzyme become less effective. This study aims to provide knowledge about the potential of HIV-1 integraseinhibitors for use as guiding compounds in the development of new anti-HIV drugs.Methods: This study used AutoDock and AutoDock Vina for virtual screening of the Indo
APA, Harvard, Vancouver, ISO, and other styles
2

Kumar, Kaushal, Mithun Kori, Himanshu Pandey, Satyesh Raj Anand, Neha Mishra, and S. P. Shrivastava. "Study of In Silico on Schiff Base Ligand Against Mycobacterium Tuberculosis." Mediterranean Journal of Chemistry 13, no. 2 (2023): 93. http://dx.doi.org/10.13171/mjc02303211679kumar.

Full text
Abstract:
Here, we have synthesized the hetero-atoms containing; 3, 4, 6–Triazabicyclo [6, 3, 1] dodeca–1 (12), 2, 6, 8, 10–pentene–5–thione (TBD) macrocyclic Schiff base ligand for the application in antituberculosis (anti-TB). This TBD ligand moiety has high donor ability due to the presence of three nitrogen donor atoms, which are also the reason for the interaction between the ligand and protein molecule. The TBD Schiff base ligand is characterized by various spectroscopic techniques such as; Fourier-Transform Infrared (FT-IR), Proton Nuclear Magnetic Resonance (1HNMR), and Ultraviolet-Visible (UV-V
APA, Harvard, Vancouver, ISO, and other styles
3

Bekere Belitibo, Dereilo, Asfaw Meressa, Abiy Abebe, et al. "Antibacterial activity of secondary metabolites from the roots of Solanum dasyphyllum: A combined in vitro and in silico study." Bulletin of the Chemical Society of Ethiopia 38, no. 6 (2024): 1843–60. http://dx.doi.org/10.4314/bcse.v38i6.26.

Full text
Abstract:
Solanum dasyphyllum is widely utilized for folk medicine in Ethiopia. The chromatographic separation of root extract of S. dasyphyllum led to the isolation of six compounds: tremulacin (1), scopoletin (2), stigmasterol (3), β-sitosterol (4), palmitic acid (5) and 2,3-dihydroxypropyl-9Z,12Z-octadecadienoate (6). The structures of the compounds were determined using NMR (1D and 2D), MS and comparison with literature data. The extract and isolated compounds were in vitro assayed against six bacterial strains and displaying activity against the tested strains. The extract exhibited stronger activi
APA, Harvard, Vancouver, ISO, and other styles
4

B. C., Akhilraj, J. Suresh, K. Rajamani, M. Kumar, R. Gnanam, and S. Raghul. "In Silico Examination of Tinospora cordifolia Phytochemical Constituents towards Sars Cov-2, Dengue and Hepatitis Viruses by Molecular Docking Approach." International Journal of Bio-resource and Stress Management 15, Jun, 6 (2024): 01–09. http://dx.doi.org/10.23910/1.2024.5304.

Full text
Abstract:
The experiment was conducted during 2023 at Tamilnadu Agricultural University dept. of medicinal and aromatic crops. Tinospora cordifolia is considered valuable in terms of its immense medicinal properties. Medicinal plants containing phytochemical compounds are considered to be safer and non-toxic than synthetic medicines and in silico analysis of these phytochemical compounds is cost effective, rapid, helps to make decisions and simulate virtually besides useful in optimizing and refining long time experimental trials thereafter. Hence, the present study was mainly focused on in silico resea
APA, Harvard, Vancouver, ISO, and other styles
5

Weni, Mustika, Mega Safithri, and Djarot Sasongko Hami Seno. "Molecular Docking of Active Compounds Piper crocatum on the A-Glucosidase Enzyme as Antidiabetic." Indonesian Journal of Pharmaceutical Science and Technology 7, no. 2 (2020): 64. http://dx.doi.org/10.24198/ijpst.v7i2.21120.

Full text
Abstract:
Ethanol extract of Piper crocatum leaves has inhibitory activity of α-glucosidase enzyme. Ethyl acetate fraction from Piper crocatum leaves has the highest antioxidant activity. Previous research has provided information that the ethyl acetate fraction of Piper crocatum leaves has an inhibition of α-glucosidase containing 6XO32ZSP1D, Ethyl L-serinate hydrochloride compound, Schisandrin B compound, Columbin compound, 4- (4-methoxy-phenylamino) -2 compound, 3-dihydro-1H-4a, 9-diazacyclopenta (b) fluorine-10-carbonitrile, compound 6-Amino-4- [3- (benzyloxy) phenyl] -3-tert-butyl-2,4-dihydropyrano
APA, Harvard, Vancouver, ISO, and other styles
6

Vlasov, Sergiy V., Oleksandr V. Borysov, Hanna I. Severina, et al. "The synthesis, antimicrobial activity and docking studies of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]pyrimidin- 4(3H)-ones with acetamide and 1,2,4-oxadiazol-5-ylmethyl substituents." Journal of Organic and Pharmaceutical Chemistry 19, no. 3(75) (2021): 15–20. http://dx.doi.org/10.24959/ophcj.21.240775.

Full text
Abstract:
Aim. To synthesize, study the antimicrobial activity and suggest antimicrobial activity mechanism for the novel derivatives of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one. Results and discussion. As the result of the targeted modification of 6-(1H-benzimidazol-2-yl)-5-methylthieno[2,3-d]-pyrimidin-4(3H)-one in position 3 with acetamide and 1,2,4-oxadiazol-5-ylmethyl substituents, the compounds, which demonstrated better antimicrobial activity in the agar well diffusion assay than the reference drug Streptomycin, were obtained. To elucidate the mechanism of action of the n
APA, Harvard, Vancouver, ISO, and other styles
7

Satari, Mieke Hemiawati, Eti Apriyanti, Hendra Dian Adhita Dharsono, Denny Nurdin, Meirina Gartika, and Dikdik Kurnia. "Effectiveness of Bioactive Compound as Antibacterial and Anti-Quorum Sensing Agent from Myrmecodia pendans: An In Silico Study." Molecules 26, no. 9 (2021): 2465. http://dx.doi.org/10.3390/molecules26092465.

Full text
Abstract:
Background: antibiotic resistance encourages the development of new therapies, or the discovery of novel antibacterial agents. Previous research revealed that Myrmecodia pendans (Sarang Semut) contain potential antibacterial agents. However, specific proteins inhibited by them have not yet been identified as either proteins targeted by antibiotics or proteins that have a role in the quorum-sensing system. This study aims to investigate and predict the action mode of antibacterial compounds with specific proteins by following the molecular docking approach. Methods: butein (1), biflavonoid (2),
APA, Harvard, Vancouver, ISO, and other styles
8

Gebrehiwot, Hadush, Yadessa Melaku, Muhdin Aliye, et al. "Antibacterial and Antioxidant Efficacies of Secondary Metabolites from the Roots of Cyphostemma adenocaule: A Combined In Vitro and In Silico Study." Journal of Tropical Medicine 2024 (March 6, 2024): 1–30. http://dx.doi.org/10.1155/2024/1679695.

Full text
Abstract:
Cyphostemma adenocaule is a therapeutic plant traditionally used to treat rabies, snake bite, diarrhea, and wound healing. To address the bioactive compounds exhibiting these activities, we performed a comprehensive study on the roots of the plant. Thus, the present study aims to inspect the in vitro antioxidant and antibacterial efficacies of compounds isolated from the combined dichloromethane : methanol (1 : 1) and methanol extracts of C. adenocaule along with the in silico study of their interaction with selected protein targets. The silica gel column chromatography technique was used for
APA, Harvard, Vancouver, ISO, and other styles
9

Sergiy, Vlasov, Kovalenko Sergiy, Orlenko Inna, Zhuravel Iryna, Krolenko Konstantin, and Vlasov Vitaliy. "Synthesis and antimicrobial activity of 3-(2-N-(aryl,acyl)amino-5-methyl-1,3-thiazol-4-yl)-2H-chromen-2-ones." ScienceRise: Pharmaceutical Science, no. 6(28) (December 30, 2020): 50–55. https://doi.org/10.15587/2519-4852.2020.221701.

Full text
Abstract:
<strong>The aim&nbsp;</strong>of this work is to study methods of 3-(2-N-(aryl,acyl)amino-5-methyl-1,3-thiazol-4-yl)-2H-chromen-2-ones preparation and their antimicrobial activity. <strong>Materials and methods.&nbsp;</strong><sup>1</sup>Н NMR spectra were recorded on Varian Mercury-200 (200 MHz),&nbsp;<sup>13</sup>C NMR spectra were acquired on Bruker Avance 500&nbsp;<sup>1</sup>H NMR (500 MHz) and&nbsp;<sup>13</sup>C NMR (125 MHz) in DMSO-d<sub>6</sub>&nbsp;and CDCl<sub>3</sub>. LC-MS analysis of compounds was performed on an Agilent 1100 HPLC instrument with chemical ionization at atmospher
APA, Harvard, Vancouver, ISO, and other styles
10

Pavlyukova, Yu N., L. M. Pevzner, P. A. Gukova, D. D. Novozhilova, G. G. Danagulyan та V. A. Ostrovskii. "β-(2R,3S,5R)-2-(hydroxymethyl)-6-(5-phenyl-<i>2Н</i>-tetrazole-2-yl) tetrahydro-<i>2Н</i>-piran-3,4,5-triol. Synthesis and computer prediction of biological activity". Translational Medicine 10, № 6 (2023): 495–506. http://dx.doi.org/10.18705/2311-4495-2023-10-6-495-506.

Full text
Abstract:
Background. An urgent problem of creating a domestic production of modern medicines under the conditions of sanctions pressure is the molecular design and development of rational methods for the synthesis of active pharmaceutical ingredients of original drugs and young generics.Objective. In this work, a computer prediction of the biological activity of β-(2R,3S,5R)-2-(hydroxymethyl)-6-(5-phenyl-2H-tetrazole-2-yl) tetrahydro-2H- piran-3,4,5-triol 1 — compounds, in the molecule of which there are two promising pharmacophore fragments, was performed: tetrazolyl and galactopyranosyl. Both fragmen
APA, Harvard, Vancouver, ISO, and other styles
More sources

Book chapters on the topic "Autodock vina 1.5.6"

1

Fernandez, Mini, and P. Shravani Shriya. "In-Silico Studies of MIF, MIEN 1, NAA40, RALB, and PTGES Proteins Involved in Colorectal Cancer." In Convergence of Technology & Biology - Transforming Life Sciences. Shanlax Publications, 2025. https://doi.org/10.34293/ctbtls.2025.ch009.

Full text
Abstract:
Colorectal cancer is the second leading cause of cancer-related deaths, emerging as one of the major causes of morbidity and mortality worldwide. Our study intends to focus on 5 proteins; MIF, MIEN 1, NAA40, RALB, and PTGES that have been experimentally proven to play a key role in the progression of colorectal cancer. The selected proteins and their template sequences along with structures were retrieved from NCBI, UniProt, BLAST, and RCSB PDB followed by alignment analysis in Clustal Omega. The models of the proteins were generated and validated using Swiss-Model, SAVES v6.0, and ProSA. The active site was predicted with the employment of CASTp. Docking of the protein with the selected ligands was performed using Vina in PyRx and the most suitable confirmation of the ligand was selected via splitting the ligand using AutoDock vina. Further details of protein-ligand interactions were visualized in BioVia Discovery Studio. In silico analysis revealed the topological features of various binding mechanisms of the drug with respective proteins, reflecting the possible interactions that can reduce the progression of CRCs acting as targeted agents for suppressing tumor growth. However, further experimental analysis including in vivo, in vitro, and clinical trials are required to validate the possible outcome and determine its success rate.
APA, Harvard, Vancouver, ISO, and other styles

Conference papers on the topic "Autodock vina 1.5.6"

1

Moneteringtyas, Prisca Caesa, Agus Kuncaka, Dadan Hermawan, and Mudasir Mudasir. "Molecular Docking Study for Prediction of Chiral HPLC Separation of Hydroxychloroquine as an Alternative Antiviral of SARS-CoV-2." In Life Science, Materials and Applied Chemistry. Trans Tech Publications Ltd, 2022. http://dx.doi.org/10.4028/p-r9unm9.

Full text
Abstract:
The HPLC chiral separation of hydroxychloroquine (HCQ) using chiral α-1-acid glycoprotein (AGP) column has been predicted based on a molecular docking approach. The research begins with the geometrical optimization of the HCQ compound using the quantum calculation method of semiempirical (SE) of PM6, AM1, and PM3, and Hartree-Fock (HF) and density functional theory (DFT/B3LYP) with the basis set of 3-21G, 6-31G, and 6-311G. Molecular docking was performed with AutoDock Vina and PyRx applications on exhaustiveness of 264. Redocking with AutoDock Vina was done using coordinates of X = 13.584; Y
APA, Harvard, Vancouver, ISO, and other styles
2

Carpencov, Serghei, and Veaceslav Kulcitki. "Docking and admet studies of manoiloxide derivatives." In Scientific seminar with international participation "New frontiers in natural product chemistry". Institute of Chemistry, Republic of Moldova, 2023. http://dx.doi.org/10.19261/nfnpc.2023.ab13.

Full text
Abstract:
Manoiloxide is a labdane type diterpenoid that can be synthesized from commercially available sclareol. Derivatives of this substance contain the scaffold of forskolin 1 and potentially bind to the active site of adenylate cyclase (PDB 1ab8) showing cytotoxic and cytostatic activity. We report in the current communication the use of Autodock vina and Molegro Virtual Docker software packages for the prediction of the approximate values of binding affinity to the active site of this protein of a series of manoyloxide derivatives. The prediction of the probable adsorption, transportation and toxi
APA, Harvard, Vancouver, ISO, and other styles
3

Pereira, Augusto Pimentel, Fernando Wollertt de França, Julianna Crippa, and Braian Lucas Machado. "Uma abordagem integrada." In IV ENCONTRO NACIONAL SOBRE O ENSINO DE BIM. ANTAC, 2022. http://dx.doi.org/10.46421/enebim.v4i00.1926.

Full text
Abstract:
O Building Information Modeling (BIM) tem se apresentado como paradigma da construção civil nas últimas décadas e tem gerado reflexões a respeito do ensino no campo da arquitetura. No centro dessas reflexões está o fato de o ensino de BIM deve ir para além de uma capacitação meramente instrumental (Ruschel et al., 2013). Em especial pelo fato de que o BIM deve ser considerado em um contexto mais amplo, de um campo sociotécnico (Pereira &amp; Procopiuck, 2022) que está permeado por dinâmicas políticas, processuais e tecnológicas (Succar, 2009). Nesse sentido, o BIM precisa ser compreendido a pa
APA, Harvard, Vancouver, ISO, and other styles
You might also be interested in the extended bibliographies on the topic 'Autodock vina 1.5.6' for particular source types:
Journal articles
We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!

To the bibliography