Search Result "ADMET score"


Review Article

Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 3 Year: 2017 Page: 3296-3307
Author(s): Talambedu Usha,Dhivya Shanmugarajan,Arvind Kumar Goyal,Chinaga Suresh Kumar,Sushil Kumar Middha

Research Article

Molecular Docking and Molecular Dynamics Simulation Based Approach to Explore the Dual Inhibitor Against HIV-1 Reverse Transcriptase and Integrase

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 8 Year: 2017 Page: 734-746
Author(s): Subhash Chander,Rajan Kumar Pandey,Ashok Penta,Bhanwar Singh Choudhary,Manish Sharma,Ruchi Malik,Vijay Kumar Prajapati,Sankaranarayanan Murugesan

Research Article

Computational Identification of Inhibitors Against DPP-IV for Checking Type-2 Diabetes

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 1 Year: 2017 Page: 66-73
Author(s): Sarvesh Kumar Gupta,Kamal Kumar Chaudhary,Utkarsh Raj,Nidhi Mishra

Research Article

Molecular Docking and Structure Activity Relationship Studies of NSAIDs. What do they Reveal about IC50?

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 8 Year: 2017 Page: 949-958
Author(s): Chrysoula Mikra,Georgios Rossos,Sotirios K. Hadjikakou,Nikolaos Kourkoumelis

Review Article

Discovery and Optimization of NAD+-Dependent DNA Ligase Inhibitors as Novel Antibacterial Compounds

Journal: Current Pharmaceutical Design
Volume: 23 Issue: 1 Year: 2017 Page: 2117-2130
Author(s): Fangchao Bi,Ruixin Ma,Shutao Ma

Research Article

Pharmacokinetic Evaluation of Callistemon viminalis Derived Natural Compounds as Targeted Inhibitors Against δ -Opioid Receptor and Farnesyl Transferase

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 4 Year: 2017 Page: 488-499
Author(s): Kamal Ahmad,Abdul Roouf Bhat,Fareeda Athar

Review Article

A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2577-2585
Author(s): Robert Abel,Lingle Wang,David L. Mobley,Richard A. Friesner

Review Article

Multi-targeting Strategies for Alzheimer's Disease Therapeutics: Pros and Cons

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 27 Year: 2017 Page: 3017-3061
Author(s): Sucharita Das,Soumalee Basu

Research Article

In Silico Studies Revealed Multiple Neurological Targets for the Antidepressant Molecule Ursolic Acid

Journal: Current Neuropharmacology
Volume: 15 Issue: 8 Year: 2017 Page: 1100-1106
Author(s): Rajeev K. Singla,Luciana Scotti,Ashok K. Dubey

Review Article

Can Untargeted Metabolomics Be Utilized in Drug Discovery/Development?

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 24 Year: 2017 Page: 2716-2739
Author(s): Gary W. Caldwell,Gregory C. Leo

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