Relevant bibliographies by topics / SWISS ADME

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Academic literature on the topic 'SWISS ADME'

Author: Grafiati
Published: 5 June 2025
Last updated: 1 August 2025

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Journal articles on the topic "SWISS ADME"

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Alsedfy, M. Yasser, A. A. Ebnalwaled, Mona Moustafa, and Alaa Hassan Said. "Dextran-IONPs ADME study using SWISS ADME – in silico study." International Journal of Research Publication and Reviews 6, no. 1 (2025): 2407–9. https://doi.org/10.55248/gengpi.6.0125.0432.

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Jyoti V. Mali, Jyoti V. Mali, Pratibha R. Adnaik Pratibha R. Adnaik, and Rahul S. Adnaik Rahul S. Adnaik. "Computational ADME Modeling of Selected Terpenoids Using Swiss ADME." International Journal of Pharmaceutical Research and Applications 10, no. 3 (2025): 1704–16. https://doi.org/10.35629/4494-100317041716.

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Terpenoids, a large and diverse class of naturally occurring organic compounds, have shown significant therapeutic potential, including antimicrobial, anticancer, and anti-inflammatory properties. However, the pharmacokinetic behavior of terpenoids, particularly their absorption, distribution, metabolism, and excretion (ADME) profiles, remains a critical factor in their drug development process. Computational ADME modeling has emerged as a powerful tool for earlystage screening of bioactive compounds, enabling the efficient prediction of pharmacokinetic properties and drug-likeness. This revie
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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.

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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
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ND, Nizamuddin, Roopa D, Pramodini Alla, Afshin Shams Shaik, Vamshi Kumar Achari P, and Sudhakar Reddy Kapu. "In – Silico Biological Evaluation of Anticancer Drugs - SWISS ADME." Future Journal of Pharmaceuticals and Health Sciences 4, no. 2 (2024): 39–55. http://dx.doi.org/10.26452/fjphs.v4i2.604.

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The aim of the present work is to prepare anti-cancer drugs through In – Silico Biological Evaluation using SWISS ADME. The new Swiss ADME web tool, which includes in-house expert methods like the BOILED-Egg, Ilogp, and Bioavailability Radar, provides free access to a pool of quick yet reliable predictive models for physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry friendliness. It is developed to predict various pharmacodynamics and pharmacokinetics properties of small molecules, helping researchers in the drug discovery and development process. Researchers
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ND, Nizamuddin. "In – Silico Biological Evaluation of Anticancer Drugs - SWISS ADME." In – Silico Biological Evaluation of Anticancer Drugs - SWISS ADME 4, no. 2 (2024): 39–55. https://doi.org/10.5281/zenodo.14651647.

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The aim of the present work is to prepare anti-cancer drugs through&nbsp;<em>In &ndash; Silico</em> Biological Evaluation using SWISS ADME. The new Swiss ADME web tool, which includes in-house expert methods like the BOILED-Egg, Ilogp, and Bioavailability Radar, provides free access to a pool of quick yet reliable predictive models for physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry friendliness. It is developed to predict various pharmacodynamics and pharmacokinetics properties of small molecules, helping researchers in the drug discovery and development p
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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.

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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
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Mishra, Shweta, and Rashmi Dahima. "IN VITRO ADME STUDIES OF TUG-891, A GPR-120 INHIBITOR USING SWISS ADME PREDICTOR." Journal of Drug Delivery and Therapeutics 9, no. 2-s (2019): 366–69. http://dx.doi.org/10.22270/jddt.v9i2-s.2710.

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Predicting the absorption, distribution, metabolism and elimination (ADME) profile of drug candidates before their synthesis, in the early stage of drug discovery, could help in selecting candidates with the less critical ADME profile. In vivo ADME assessment is found to be costly, time consuming and involve the lives of animals, so the in vitro ADME analysis is better, cheaper and provides accurate results quickly. TUG-891 is a GPR-120 inhibitor under clinical trials. The aim of the present study is to predict the in vitro ADME studies of TUG-891, to know the expected outcome of the clinical
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8

Putri, Arina Amalia, Nurina Tahta Afwi Maulina, and Puspa Hening. "In Silico Evaluation of Drug-Likeness and ADME Properties of Parkia timoriana Phytochemicals for Potential Therapeutic Applications." International Journal of Research and Review 12, no. 6 (2025): 409–16. https://doi.org/10.52403/ijrr.20250648.

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Parkia timoriana, known locally as “Kedawung”, has long been used in traditional medicine and is recognized for potential therapeutic effects. This study aimed to evaluate the pharmacokinetic profiles and target interactions of three dominant seed-derived compounds—Oleic Acid, 1H-Imidazole, 2- (diethoxy methyl), and Methyl Stearate—through in silico approaches. Canonical SMILES data were retrieved from PubChem and analyzed using Swiss ADME and Swiss Target Prediction. All three compounds exhibited favorable molecular weights and TPSA values within the optimal range for passive absorption. 1H-i
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Popova, L. M., Yu G. Bazarnova, and E. I. Pochkaeva. "Prediction of the spectrum of biological activity of oxidation products of fluorinated esters of resin acids." Translational Medicine 10, no. 5 (2023): 377–88. http://dx.doi.org/10.18705/2311-4495-2023-10-5-377-388.

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Background. Derivatives of diterpenes, in particular, resin acids, are of interest for the creation of pharmacological substances with a wide spectrum of action.Objective. To perform a predictive assessment of the biological activity of oxidation products of fluorinated esters of resin acids.Design and methods. Predictive assessment of the biological activity of the oxidation products of fluorinated esters of resin acids (I–VIII) was carried out using the PASS-online software. The prediction of physico-chemical and pharmacological properties of the studied compounds was carried out using the S
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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.

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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
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Book chapters on the topic "SWISS ADME"

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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.

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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
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Conference papers on the topic "SWISS ADME"

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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.

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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
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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.

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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
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