Current Computer-Aided Drug Design

Editor-in-Chief:

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

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Editorial: The Concepts of Pharmacophore/Toxicophores: A Philosophical/Mathematical- cum-Historical Perspective free to download

Volume:14   Issue: 2
Pp: 103-105
Lemont B. Kier and Subhash C. Basak
DOI: 10.2174/157340991402180524090321



Structural Basis of Antisickling Effects of Selected FDA Approved Drugs: A Drug Repurposing Study

Volume:14   Issue: 2
Pp: 106-116
Olujide O. Olubiyi*, Maryam O. Olagunju, James O. Oni and Abidemi O. Olubiyi
DOI: 10.2174/1573409914666180129163711



Synthesis, Structural Characterization and Docking Studies of Sulfamoyl- Phenyl Acid Esters as Dipeptidyl Peptidase-IV Inhibitors

Volume:14   Issue: 2
Pp: 142-151
Reema Abu Khalaf*, Dima Sabbah, Eveen Al-Shalabi, Iyad Al-Sheikh, Ghadeer Albadawi and Ghassan Abu Sheikha
DOI: 10.2174/1573409914666180308164013



Quantitative Structure-activity Relationship Study of Betulinic Acid Derivatives Against HIV using SMILES-based Descriptors

Volume:14   Issue: 2
Pp: 152-159
Apilak Worachartcheewan*, Alla P. Toropova, Andrey A. Toropov, Suphakit Siriwong, Jatupat Prapojanasomboon, Virapong Prachayasittikul and Chanin Nantasenamat
DOI: 10.2174/1573409914666180112094156



Finding Novel Anti-carcinomas Compounds by Targeting SFRP4 Through Molecular Modeling, Docking and Dynamic Simulation Studies

Volume:14   Issue: 2
Pp: 160-173
M. Hassan, M. Azhar, Q. Abbas, H. Raza, A.A. Moustafa, S. Shahzadi, Z. Ashraf* and S.Y. Seo*
DOI: 10.2174/1573409914666180112100122