Current Computer-Aided Drug Design

Editor-in-Chief:

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

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Articles Ahead of Print

New Resensitizers for the Nicotinic Acetylcholine Receptor by Ligandbased Pharmacophore Modeling

Volume:14
Thomas Wein, Klaus T. Wanner *, Sebastian Rappengluck, Sonja Sichler, Karin V. Niessen, Thomas Seeger, Franz Worek and Horst Thiermann

Structural Optimization of Mangiferin Binding to Cancer Molecular Targets: A Guide for Synthetic Derivitization

Volume:14
Bamigboye J. Taiwo*, Olujide O. Olubiyi* and Fanie R. van Heerden

The Application of Machine Learning Techniques in Clinical Drug Therapy

Volume:14
Huan-Yu Meng, Wan-Lin Jin, Cheng-Kai Yan and Huan Yang*

Polypharmacology Approach Against Migraine with Aura and Brain Edema for the Development of an Efficient Inhibitor and its Analogues

Volume:14
Samawia Rizwan, Asim Mehmood, Irum Khalid, Muhammad Saad Khan, Qudsia Yousafi, Hayssam M. Ali, Mohamed S. Elshikh, Saima Kalsoom and Hamid Rashid*

Identification of Hydroxamic Acid Based Selective HDAC1 Inhibitors: Computer Aided Drug Design Studies

Volume:14
Preeti Patel, Vijay K. Patel, Avineesh Singh, Talha Jawaid, Mehnaz Kamal and Harish Rajak*

Salient Aspects of PBP2A-inhibition; A QSAR Study

Volume:14
Adewale J. Ogunleye*, Gabriel O. Eniafe, Olumide K. Inyang, Benjamin Adewumi and Olaposi I. Omotuyi

Rational Discovery of Novel Squalene Synthase Inhibitors through Pharmacophore Modelling

Volume:14
Avani B. Chokshi*, Mahesh T. Chhabria and Pritesh R. Desai

In silico Molecular Docking and ADME Studies of 1,3,4-thiadiazole Derivatives in Relation to İn vitro PON1 Activity

Volume:14
Belgin Sever, Kaan Kucukoglu, Hayrunnisa Nadaroglu and Mehlika Dilek Altintop*

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

Volume:14
Pulakuntla Swetha Reddy, Kiran Bharat Lokhande, Shuchi Nagar, Vaddi Damodara Reddy, P. Sushma Murthy and K. Venkateswara Swamy*

Computational Study of Imidazolylporphyrin Derivatives as a Radiopharmaceutical Ligand for Melanoma

Volume:14
Fransiska Kurniawan, Rahmana E. Kartasasmita, Naoki Yoshioka, Abdul Mutalib and Daryono H. Tjahjono*

Molecular Modeling Studies on Some Important Anticancer Heterocycles: An Overview

Volume:14
Mayura Kale*, Gajanan Sonwane, Rajesh Nawale and Vishnukant Mourya

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

Volume:14
Madhusudhanan Gogul Ramnath, Ramaraj Thirugnanasampandan*, Nagarajan NagaSundaram and Gunasekaran Bhuvaneswari