Academic literature on the topic 'Swiss admet'

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 'Swiss admet.'

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 "Swiss admet"

1

Oduselu, Gbolahan O., Olayinka O. Ajani, Yvonne U. Ajamma, Benedikt Brors, and Ezekiel Adebiyi. "Homology Modelling and Molecular Docking Studies of Selected Substituted Benzo[d]imidazol-1-yl)methyl)benzimidamide Scaffolds on Plasmodium falciparum Adenylosuccinate Lyase Receptor." Bioinformatics and Biology Insights 13 (January 2019): 117793221986553. http://dx.doi.org/10.1177/1177932219865533.

Full text
Abstract:
Plasmodium falciparum adenylosuccinate lyase ( PfADSL) is an important enzyme in purine metabolism. Although several benzimidazole derivatives have been commercially developed into drugs, the template design as inhibitor against PfADSL has not been fully explored. This study aims to model the 3-dimensional (3D) structure of PfADSL, design and predict in silico absorption, distribution, metabolism, excretion and toxicity (ADMET) of 8 substituted benzo[ d]imidazol-1-yl)methyl)benzimidamide compounds as well as predict the potential interaction modes and binding affinities of the designed ligands
APA, Harvard, Vancouver, ISO, and other styles
2

Hussain, Nazim, Bibhuti Bhushan Kakoti, Mithun Rudrapal, et al. "Bioactive Antidiabetic Flavonoids from the Stem Bark of Cordia dichotoma Forst.: Identification, Docking and ADMET Studies." Molbank 2021, no. 2 (2021): M1234. http://dx.doi.org/10.3390/m1234.

Full text
Abstract:
Cordia dichotoma Forst. (F. Boraginaceae) has been traditionally used for the management of a variety of human ailments. In our earlier work, the antidiabetic activity of methanolic bark extract of C. dichotoma (MECD) has been reported. In this paper, two flavonoid molecules were isolated (by column chromatography) and identified (by IR, NMR and mass spectroscopy/spectrometry) from the MECD with an aim to investigate their antidiabetic effectiveness. Molecular docking and ADMET studies were carried out using AutoDock Vina software and Swiss ADME online tool, respectively. The isolated flavonoi
APA, Harvard, Vancouver, ISO, and other styles
3

Khare, Soumya, Tanushree Chatterjee, Shailendra Gupta, and Patel Ashish. "Bioavailability predictions, pharmacokinetics and drug-likeness of bioactive compounds from Andrographis paniculata using Swiss ADME." MGM Journal of Medical Sciences 10, no. 4 (2023): 651–59. http://dx.doi.org/10.4103/mgmj.mgmj_245_23.

Full text
Abstract:
Abstract Background: Earlier research on Andrographis paniculata focused on documenting their bioactive compounds profiles and traditional use. Before making a drug-like substance prediction using information from in silico experimental models, the current work aimed to examine and analyze the ADMET properties. This study assessed the drug-likeness and ADMET characteristics of bioactive compounds from A. paniculata. Materials and Methods: The current study will be the first to use the free online tool Swiss ADME to report the ADME characteristics of A. paniculata. The ADME properties of 10 bio
APA, Harvard, Vancouver, ISO, and other styles
4

Bououden, Walid, and Yacine Benguerba. "Designing, Cytotoxic Evaluation, Molecular Docking and in Silico Pharmacokinetic Prediction of New Hydrocortisone Derivatives as Anti-Asthmatics Drugs." Journal of Drug Delivery and Therapeutics 10, no. 4 (2020): 8–16. http://dx.doi.org/10.22270/jddt.v10i4.4128.

Full text
Abstract:
A series of new 20 corticosteroids were subjected to molecular property prediction. The Molecular, Physicochemical, and Biological properties were determined using Molinspiration Cheminformatics software. These compounds were further subjected to Toxicity Predictions using the Osiris Software. The calculated drug-related properties of the designed molecules were similar to those found in most marketed drugs. Amongst the proposed molecules, fourteen promising candidates can be considered as promising structures for the synthesis of new and more effective anti-asthmatic drugs. Result indicates t
APA, Harvard, Vancouver, ISO, and other styles
5

Hakiki, Ahmad, Andika Andika та Rahmawati Rahmawati. "Studi Molecular Docking dan Prediksi ADMET Senyawa Turunan Kurkumin Sebagai Inhibitor Kasein Kinase 2-α". Lumbung Farmasi: Jurnal Ilmu Kefarmasian 5, № 2 (2024): 195. http://dx.doi.org/10.31764/lf.v5i2.22563.

Full text
Abstract:
Protein Kasein Kinase 2-α merupakan salah satu target terapi dalam pengobatan kanker leukemia yang merupakan molekul penting dalam mengatur pertumbuhan kanker leukemia. Senyawa kurkumin terbukti memiliki aktivitas sebagai inhibitor Kasein Kinase 2-α, namun masih belum ada penelitian yang menguji senyawa turunan kurkumin sebagai inhibitor Kasein Kinase 2-α. Tujuan dari penelitian ini adalah untuk mengetahui potensi dari senyawa kurkumin beserta turunannya sebagai inhibitor Kasein Kinase 2-α ID PDB: 3PE1 melalui penambatan molekul (molecular docking), berdasarkan nilai energi ikatan bebas (ΔG) t
APA, Harvard, Vancouver, ISO, and other styles
6

Thakre, Revati, Aarti More, Pradeep Deshmukh, et al. "Exploring Anti-inflammatory Targets of Flavonoids through Integrated Molecular Docking and Network Pharmacology." Jordan Journal of Pharmaceutical Sciences 18, no. 1 (2025): 160–79. https://doi.org/10.35516/jjps.v18i1.2713.

Full text
Abstract:
Inflammation is a complex physiological response associated with numerous diseases. Flavonoids, a class of natural compounds widely distributed in plants, have demonstrated promising anti-inflammatory properties. However, their comprehensive mechanisms of action and potential molecular targets remain indefinable. In the present study, we employed a network pharmacology approach combined with molecular docking to investigate the anti-inflammatory effects of some flavonoids. Initially, we collected and curated a comprehensive database such as ADMET parameters and targets from Swiss ADME, ADMET 2
APA, Harvard, Vancouver, ISO, and other styles
7

Mrs., Rucha Pusegaonkar*, Rushabh Jain Mr., Mandar Kulkarni Mr., Omkar Magar Mr., Meera Deshmukh Dr., and Pranati Tilak Dr. "Admet Study of Phytochemicals used in Autoimmune Disease." International Journal of Multidisciplinary Research Transactions 5, no. 8 (2023): 54–61. https://doi.org/10.5281/zenodo.8295522.

Full text
Abstract:
Autoimmune disease is a complex term, which describes immune system attacks as a breakdown of tolerance to autoreactive immune cells. It is associated with genetic, infectious, environmental predisposing factor. The use of herbal medicines in autoimmune significantly act on immune system and improves them. Tetrandrine (Tet), a bis-benzylisoquinoline alkaloid isolated from the creeper <em>Stephania tetrandra S Moore</em>, belong to family Menispermacae&nbsp; has been used for decades in Mainland China to treat patients autoimmune illnesses rheumatism. Punarnavine, alkaloid obtained from <em>Boe
APA, Harvard, Vancouver, ISO, and other styles
8

Jadhav, Sagar Ashok, Payal Chavan, Supriya Suresh Shete, et al. "In Silico ADMET and Docking Study of Selected Drug Used in Therapy of COVID-19." Journal of Pharmaceutical Technology, Research and Management 10, no. 1 (2022): 47–73. http://dx.doi.org/10.15415/jptrm.2022.101006.

Full text
Abstract:
Docking is one of the most widely utilized technique used method in structure -based drug design because of its capability to predict the binding conformation of ligands to appropriate target. Ability of binding/ affinity towards the target i.e., bioactive peptides or specific receptor provides strong evidence of binding conformation pattern and affinity for further investigation. Aim- The present study was conducted for evaluation of current API’s potential used in COVID-19. Methods: In-silico molecular docking was performed using softwares such as SWISS ADME, MOLSOFT, MOLINSPIRATION, PYMOL,
APA, Harvard, Vancouver, ISO, and other styles
9

Noor, Md Ali Asif, Md Mazedul Haq, Md Arifur Rahman Chowdhury, Hilal Tayara, HyunJoo Shim, and Kil To Chong. "In Silico Exploration of Novel EGFR Kinase Mutant-Selective Inhibitors Using a Hybrid Computational Approach." Pharmaceuticals 17, no. 9 (2024): 1107. http://dx.doi.org/10.3390/ph17091107.

Full text
Abstract:
Targeting epidermal growth factor receptor (EGFR) mutants is a promising strategy for treating non-small cell lung cancer (NSCLC). This study focused on the computational identification and characterization of potential EGFR mutant-selective inhibitors using pharmacophore design and validation by deep learning, virtual screening, ADMET (Absorption, distribution, metabolism, excretion and toxicity), and molecular docking-dynamics simulations. A pharmacophore model was generated using Pharmit based on the potent inhibitor JBJ-125, which targets the mutant EGFR (PDB 5D41) and is used for the virt
APA, Harvard, Vancouver, ISO, and other styles
10

Patil, Khushabu, Mahesh Nemade, Anjali Bedse, et al. "Virtual Screening, Molecular Docking, and ADMET Analysis of Flavonoids as a Potential Pi3k Inhibitor for Cancer Treatment." INTERNATIONAL JOURNAL OF DRUG DELIVERY TECHNOLOGY 13, no. 03 (2023): 966–70. http://dx.doi.org/10.25258/ijddt.13.3.31.

Full text
Abstract:
Cancer continues to be a global health burden, necessitating the exploration of innovative anti-cancer therapeutics. This study leverages computational biology tools such as molecular docking, ligand-based virtual screening, and ADMET to evaluate quercetin flavonoids as potential PI3K inhibitors for cancer treatment. Using Swiss Similarity and CB-Dock tools, 51 compounds were identified that showed promising interactions with PI3K. DB01645 exhibited the highest binding affinity among these, with a Vina score of -8.6. ADMET analysis revealed that this compound has favorable physicochemical prop
APA, Harvard, Vancouver, ISO, and other styles
More sources

Book chapters on the topic "Swiss admet"

1

Sireesha, S. Muni, A. Sejal Mudiraj, A. Varmini, A. Pallavi, Afirin Farahana, and T. Saritha Jyostna. "In Silico Admet Prediction and Molecular Docking Studies in the Design of New Therapeutic Agents Targeting PIM 1 Kinase." In Current Trends in Drug Discovery, Development and Delivery (CTD4-2022). Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/9781837671090-00070.

Full text
Abstract:
Cancer is a crucial reason for death in almost all emerging nations. Huge anti-cancer agents were recognized are still requiring progress in enduring rates and eminence for cancer-affected life. PIM1 belongs to the serine/threonine kinase family, and has been recognized as a distinct target in oncogenesis. The role of PIM 1 is denotable in survival, cellular senescence, cell cycle regulation, drug resistance, and apoptosis and it appears as a probable biomarker in many human malignancies. Today numerous stimulating inhibitors for PIM1 are expanded and few were withdrawn from clinical trials of
APA, Harvard, Vancouver, ISO, and other styles
2

Eschenmoser, Albert. "Albert Eschenmoser (1925–2023) Autobiography Chapter 2: From Postdoc to Privatdozent at ETH (1951–1960)." In Prizes are Good but Discoveries are Better. GNT Publishing GmbH, 2025. https://doi.org/10.47261/1569-2.

Full text
Abstract:
On the occasion of a lecture entitled, “(On) Organic Chemistry”, which I had the privilege of giving many years later at the 75th anniversary meeting of the Swiss Chemical Society (SCS) at the Hilton Hotel in Basel (March 26, 1976), I had a special chairman: Vlado Prelog, Ruzicka’s successor. In his whimsically delivered introduction he remarked, among other things, “At the time, the lecturer did his doctorate at ETH under a still completely unknown young doctoral supervisor named Albert Eschenmoser.” I must admit that Prelog’s remark amused and pleased me at the time, and still does today. No
APA, Harvard, Vancouver, ISO, and other styles
3

"was seen (as he often still is) as characteristically ‘heavy’, boring and lacking in a sense of humour, or at least irony – in fact the kind of playwright he himself deplored in his own, rational theatre. Furthermore, he was a Marxist and thus his ideas were (and are) unlikely to be suited to the mainly bourgeois institution of British theatre and theatregoers. Since Brecht’s ideology has so often been a barrier to a full appreciation of his work in Britain, and consequently appears regularly in this book, it is worth briefly spelling out here the basis and implications of his political beliefs. Brecht’s commitment to the classic Marxist tradition of ‘dialectical materialism’ (the idea that the individual is created by socio-political and economic factors and is, therefore, able to change his circumstances and environment) provided a ‘legitimacy’ (in his view at least) for an interventionist form of theatre. Brecht’s ‘discovery’ of Marxism (in 1928/9) confirmed his already well-developed idea that theatre should have a social function. As he said, he ‘had written a whole pile of Marxist plays without knowing it’ (Völker, 1979, p. 110). His ‘epic theatre’ was based on the concept of the primary importance of production in social life and it was intended to demonstrate socialism as the constant revolutionising of the forces and relations within the processes of production. Brecht often spoke of his form of theatre as one designed to make a contribution to ‘the full unfettering of everybody’s productivity’ (Suvin, 1984, p.20). He would admit, however, that in order for epic theatre to work fully, the actors involved in the production needed to share a Marxist view of the world. Certainly many theatre critics and historians would agree that without a knowledge of Marxist philosophy and aesthetics, it is virtually impossible to grasp the full meaning of Brecht’s plays. For example, Marxist philosophy is fundamental to Brecht’s dramaturgical exploration of the relationship between the individual and society. As a playwright, he builds up a complex framework of social, political, economic, historical and personal factors, which determine the character as an individual; his phrase for this is ‘statistical causality’. This approach to characterisation enables Brecht to demonstrate through his plays a wider range of possibilities for human behaviour than is the case with more ‘naturalistic’, psychologically-based drama. Brecht’s politics have, of course, been used frequently against him – as a reason for rejecting his artistic achievements, and as a ‘stick’ with which to beat him and expose the apparent hypocrisy in his personal behaviour. His detractors often draw attention to the fact that he never actually joined the Communist Party and that, after returning to East Berlin in 1949, he obtained an Austrian passport (1950), gave exclusive publishing rights to his writing to a West German publisher, and maintained a Swiss bank account. Equally notably, Brecht even refused to sign a binding contract with his own company, the Berliner Ensemble, until 1953, when he signed a form of ‘open’ agreement. In extenuation, it might be claimed that after his years in exile, when his artistic ambitions and activities had been inevitably limited,." In Performing Brecht. Routledge, 2002. http://dx.doi.org/10.4324/9780203129838-8.

Full text
APA, Harvard, Vancouver, ISO, and other styles

Conference papers on the topic "Swiss admet"

1

Costa, José Cássio Figueira, and Elaine Cristinha Pacheco De Oliveira. "FARMACOCINÉTICA E TOXICIDADE IN SILICO DE HIDROCARBONETOS SESQUITERPÊNICOS DO ÓLEO ESSENCIAL DE CROTON CAJUÇARA BENTH (EUPHORBIACEAEA)." In II Congresso Brasileiro de Biotecnologia On-line. Revista Multidisciplinar de Educação e Meio Ambiente, 2022. http://dx.doi.org/10.51189/conbiotec/48.

Full text
Abstract:
Introdução: Croton cajuçara, conhecida popularmente como Sacaca, é uma planta nativa da região Amazônica, comumente utilizada na forma de extratos etanólicos e hidroalcoólicos por populações tradicionais no tratamento de distúrbios no trato digestivo, diabetes, inflamações no fígado, além de auxiliar no tratamento de malária. Entretanto, as propriedades farmacocinéticas (ADME - Absorção, distribuição, metabolismo e excreção) e toxicidade ainda são pouco elucidadas. Diversas ferramentas in sílico são utilizadas para predizer mecanismos de distribuição, interação e toxicidade de compostos bioati
APA, Harvard, Vancouver, ISO, and other styles
2

Costa, José Cássio Figueira. "VIRTUAL SCREENING DO POTENCIAL BIOATIVO, PROPRIEDADES FARMACOCINÉTICAS E TOXICOLÓGICAS DE SESQUITERPENOS OXIGENADOS DE LYCHNOPHORA ERICOIDES MART. (ARNICA-DO-CERRADO) DE AMPLO USO TRADICIONAL." In II Congresso Brasileiro de Biotecnologia On-line. Revista Multidisciplinar de Educação e Meio Ambiente, 2022. http://dx.doi.org/10.51189/conbiotec/50.

Full text
Abstract:
Introdução: A Lycnophora ericoides pertence à família Asteraceae, conhecida popularmente como Arnica-do-Cerrado, espécie endêmica do cerrado brasileiro. É amplamente conhecida por suas propriedades biológicas, como: analgésica, anti-inflamatória e cicatrizante. Objetivo: avaliar as propriedades farmacocinéticas, toxicológicas e triagem molecular do potencial bioativo de sesquiterpenos oxigenados de L. ericoides por simulação computacional. Metodologia: Foram selecionados 6 sesquiterpenos (alfa-cadinol, (E)-nerolidol, oxido de cariofileno, alfa-bisabolol, ar-diidro-turmerona e ar-turmerol) enco
APA, Harvard, Vancouver, ISO, and other styles
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!