Search Result "ADMET models"


Research Article

Synthesis, Biological Evaluation, QSAR, Molecular Docking and ADMET Studies of N-aryl/N,N-dimethyl Substituted Sulphonamide Derivatives

Journal: Anti-Infective Agents
Volume: 18 Issue: 2 Year: 2020 Page: 190-199
Author(s): Samridhi Thakral,Vikramjeet Singh

Research Article

Lignans and Neolignans Anti-tuberculosis Identified by QSAR and Molecular Modeling

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 6 Year: 2020 Page: 504-516
Author(s): Mayara S. Maia,Natália F. de Sousa,Gabriela C.S. Rodrigues,Alex F.M. Monteiro,Marcus T. Scotti,Luciana Scotti

Review Article

In Silico Modelling in the Development of Novel Radiolabelled Peptide Probes

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 4 Year: 2020 Page: 7048-7063
Author(s): Janke Kleynhans,Hendrik Gerhardus Kruger,Theunis Cloete,Jan Rijn Zeevaart,Thomas Ebenhan

Research Article

In Silico Docking, ADMET and QSAR Study of few Antimalarial Phytoconstituents as Inhibitors of Plasmepsin II of P. falciparum Against Malaria

Journal: Current Drug Therapy
Volume: 15 Issue: 3 Year: 2020 Page: 264-273
Author(s): Syeda Sabiha Salam,Pankaj Chetia,Devid Kardong

Research Article

Pyridine and Benzoisothiazole Decorated Vanillin Chalcones: Synthesis, Antimicrobial, Antioxidant, Molecular Docking Study and ADMET Properties

Journal: Current Organic Synthesis
Volume: 17 Issue: 5 Year: 2020 Page: 367-381
Author(s): Pintu Pathare,Sunil Tekale,Rafique Shaikh,Manoj Damale,Jaiprakash Sangshetti,Dhanaji Rajani,Rajendra Pawar

General Research Article

Design, Synthesis and Biological Evaluation of Anti-tuberculosis Agents based on Bedaquiline Structure

Journal: Medicinal Chemistry
Volume: 16 Issue: 5 Year: 2020 Page: 703-714
Author(s): Chengjun Wu,Jinghan Luo,Mengtong Wu,Fanzhen Meng,Zhiqiang Cai,Yu Chen,Tiemin Sun

Research Article

Molecular Modeling Studies of Halogenated Imidazoles against 14α- Demethylase from Candida albicans for treating Fungal Infections

Journal: Infectious Disorders - Drug Targets
Volume: 20 Issue: 2 Year: 2020 Page: 208-222
Author(s): Nidhi Rani,Praveen Kumar,Randhir Singh

Research Article

In Silico Anticancer Evaluation, Molecular Docking and Pharmacophore Modeling of Flavonoids against Various Cancer Targets

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 1 Year: 2020 Page: 1485-1501
Author(s): Jainey Puthenveettil James,Pankaj Kumar,Abhishek Kumar,Katte Ishwar Bhat,Chakrakodi Shashidhara Shastry

Review Article

The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1357-1374
Author(s): Valeria V. Kleandrova,Alejandro Speck-Planche

Research Article

Computational Studies of bis-2-Oxoindoline Succinohydrazides and their In Vitro Cytotoxicity

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 3 Year: 2020 Page: 270-280
Author(s): Ravi Jarapula,Vishnu N. Badavath,Shriram Rekulapally,Sarangapani Manda

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