Current Computer-Aided Drug Design

Editor-in-Chief:

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA

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Current Opioid Overdose Crisis: Some Comments on the Chemicobiological Aspects of Tolerance/Dependence and Abuse Based on Computational Chemistry and Biology free to download

Volume:14   Issue: 3
Pp: 175-177
Subhash C. Basak and Lemont B. Kier
DOI: 10.2174/157340991403180727103859



Molecular Modeling Studies on Some Important Anticancer Heterocycles: An Overview

Volume:14   Issue: 3
Pp: 178-190
Mayura Kale*, Gajanan Sonwane, Rajesh Nawale and Vishnukant Mourya
DOI: 10.2174/1573409914666180321105745



Computational Study of Imidazolylporphyrin Derivatives as a Radiopharmaceutical Ligand for Melanoma

Volume:14   Issue: 3
Pp: 191-199
Fransiska Kurniawan*, Rahmana E. Kartasasmita, Naoki Yoshioka, Abdul Mutalib and Daryono H. Tjahjono*
DOI: 10.2174/1573409914666180417115248



Identification of N-Benzylated Indole Mannich Bases as Potential Anti TB Agents by Using Computational Studies and Molecular Hybridization Technique

Volume:14   Issue: 3
Pp: 200-206
Murali Krishna Kumar Muthyala*, Risy Namratha Jamullamudi, G.P.V. Sangeeta and Purna Nagasree Kurre
DOI: 10.2174/1573409914666180423093049



Rational Discovery of Novel Squalene Synthase Inhibitors through Pharmacophore Modelling

Volume:14   Issue: 3
Pp: 221-233
Avani B. Chokshi*, Mahesh T. Chhabria and Pritesh R. Desai
DOI: 10.2174/1573409914666180507143024



Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors

Volume:14   Issue: 3
Pp: 234-245
Madhusudhanan Gogul Ramnath, Ramaraj Thirugnanasampandan*, Nagarajan NagaSundaram and Gunasekaran Bhuvaneswari
DOI: 10.2174/1573409914666180321111925



Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

Volume:14   Issue: 3
Pp: 246-252
Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*
DOI: 10.2174/1573409914666180228111433