Search Result "ADME-Tox"


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

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

Research Article

Systematic Evaluation of the Mechanisms of Mulberry Leaf (Morus alba Linne) Acting on Diabetes Based on Network Pharmacology and Molecular Docking

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 5 Year: 2021 Page: 668-682
Author(s): Qiguo Wu,Yeqing Hu

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

Letter Article

Identification of Active Phytochemical from Traditional Herbal Knowledgebase Targeting Pantothenate Synthetase for Anti-tuberculosis Therapy

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 0 Year: 2021 Page: 1-13
Author(s): Saurov Mahanta,Bhaskarjyoti Gogoi,Pankaj Chetia,Bhaben Tanti,Pratap Jyoti Handique

Mini-Review Article

A Recent Appraisal of Artificial Intelligence and in Silico ADMET Prediction in the Early Stages of Drug Discovery

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 21 Issue: 1 Year: 2021 Page: 2786-2798
Author(s): Avinash Kumar,Suvarna G Kini,Ekta Rathi

Research Article

Molecular Docking and Dynamics Simulation of Natural Phenolic Compounds with GSK-3β: A Putative Target to Combat Mortality in Patients with COVID-19

Journal: Recent Advances in Inflammation & Allergy Drug Discovery
Volume: 15 Issue: 1 Year: 2021 Page: 16-34
Author(s): Zahra Khamverdi,Zeinab Mohamadi,Amir Taherkhani

Research Article

In-silico Inhibitory Study of cFos-cJun Complex by T-5224 Based Small Molecule Analogs

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 6 Year: 2021 Page: 593-609
Author(s): Srushti S. Chavadapur,Shivaleela Biradar,Babu R. Lamani

Research Article

In-silico Studies and Wet-Lab Validation of Camptothecin Derivatives for Anti-Cancer Activity Against Liver (HepG2) and Lung (A549) Cancer Cell Lines

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 1 Year: 2021 Page: 908-919
Author(s): Komal Kalani,Dharmendra K. Yadav,Sarfaraz Alam,Feroz Khan,Mahendra P. Kashyap,Santosh K. Srivastava,Aditya B. Pant

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