Search Result "ADME prediction"


Research Article

Identification of Antimycobacterial Agent Using In Silico Virtual Screening,ADME Prediction, Docking, and Molecular Dynamics SimulationsApproach

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 6 Year: 2021 Page: 806-816
Author(s): Swayansiddha Tripathy,Susanta Kumar Sahu,Mohammed Afzal Azam,Srikanth Jupudi,Vivek Kumar Gupta,Shweta Sharma

Research Article

Virtual Screening, Molecular Docking and In silico ADME-Tox Analysis for Identification of Potential Main Protease (Mpro) Enzyme Inhibitors

Journal: Anti-Infective Agents
Volume: 19 Issue: 4 Year: 2021 Page: 11-27
Author(s): Debadash Panigrahi,Ganesh Prasad Mishra

Research Article

Drug Repurposing Using Similarity-based Target Prediction, Docking Studies and Scaffold Hopping of Lefamulin

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 7 Year: 2021 Page: 733-743
Author(s): Shikha Sharma,Shweta Sharma,Vaishali Pathak,Parwinder Kaur,Rajesh Kumar Singh

Research Article

Molecular Docking of the Cardenolides of Asclepias subulata in the Human p53 Protein Reveals an Interaction in the Cleft of the Y220C Mutant

Journal: Current Chemical Biology
Volume: 15 Issue: 3 Year: 2021 Page: 222-233
Author(s): Ignacio Valenzuela-Chavira,Salvador Meneses-Sagrero,Aldo A. Arvizu-Flores,Javier Hernández-Paredes,Luisa Rascón-Valenzuela,Carlos A. Velázquez-Contreras,Ramón E. Robles-Zepeda

General Research Article

Isolation, Docking and In Silico ADME-T Studies of Acacianol: Novel Antibacterial Isoflavone Analogue Isolated from Acacia leucophloea Bark

Journal: Current Drug Metabolism
Volume: 22 Issue: 1 Year: 2021 Page: 893-904
Author(s): Rajeev K. Singla,Rajesh Gupta,Shikha Joon,Arun K. Gupta,Bairong Shen

Review Article

Fibrotic Strictures in Crohn’s Disease: Mechanisms and Predictive Factors

Journal: Current Drug Targets
Volume: 22 Issue: 2 Year: 2021 Page: 241-251
Author(s): Riccardo Mager,Giulia Roda,Mohammad Khaled Shalaby,Stefania Vetrano

Letter Article

Virtual Screening of the Flavonoids Compounds with the SARS-CoV-2 3C-like Protease as the Lead Compounds for the COVID-19

Journal: Coronaviruses
Volume: 2 Issue: 0 Year: 2021 Page: 1-9
Author(s): Gabriella Patricia Adisurja,Arli Aditya Parkesit

Research Article

A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents

Journal: Medicinal Chemistry
Volume: 17 Issue: 0 Year: 2021 Page: 1-37
Author(s): Debadash Panigrahi,Amiyakanta Mishra,Susanta Kumar Sahu,Mohd. Afzal Azam,C.M. Vyshaag

Review Article

Biochemical Markers in the Prediction of Contrast-induced Acute Kidney Injury

Journal: Current Medicinal Chemistry
Volume: 28 Issue: 6 Year: 2021 Page: 1234-1250
Author(s): Magdalena Zdziechowska,Anna Gluba-Brzózka,Beata Franczyk,Jacek Rysz

Research Article

Prediction of Inhibition Activity of BET Bromodomain Inhibitors using Grid Search-Based Extreme Learning Machine and Molecular Docking

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-11
Author(s): Oluwatoba Emmanuel Oyeneyin,Babatunde Samuel Obadawo,Segun Michael Orimoloye,Eric Oluwafisayo Akintemi,Nureni Ipinloju,Adeola M. Asere,Taoreed O. Owolabi

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