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Current Computer-Aided Drug Design

Volume 17, 7 Issues, 2021
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access

In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research


Current Computer-Aided Drug Design, Volume 16 - Number 4

Editorial   Open Access

Review Article

Computational Drug Repurposing: Classification of the Research Opportunities and Challenges

, 16(4): 354 - 364

Seyedeh Shaghayegh Sadeghi and Mohammad Reza Keyvanpour*

DOI: 10.2174/1573409915666190613113822

Research Article

Prospects of Wedelolactone as a Chemotherapeutic Agent in Gynecological Cancers; Clue From its In Vitro and In Silico Investigation

, 16(4): 365 - 375

Sadia Sarwar*, Tauqeer Amed, Neelum Gul Qazi, Jun Qing Yu and Fazlul Huq

DOI: 10.2174/1573409915666191015113134

Research Article

Computational Prospecting for the Pharmacological Mechanism of Activity: HIV-1 Inhibition by Ixoratannin A-2

, 16(4): 376 - 388

Olujide O. Olubiyi*, Thomas O. Idowu, Abiodun O. Ogundaini and Goodness Orhuah

DOI: 10.2174/1573409915666190702111023

Research Article

The Research of New Inhibitors of Bacterial Methionine Aminopeptidase by Structure Based Virtual Screening Approach of ZINC DATABASE and In Vitro Validation

, 16(4): 389 - 401

Hanane Boucherit*, Abdelouahab Chikhi, Abderrahmane Bensegueni, Amina Merzoug and Jean-Michel Bolla

DOI: 10.2174/1573409915666190617165643

Research Article

Design and Molecular Docking Studies of Some 2,3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG

, 16(4): 402 - 406

Amrute B. Bhavesh*, Amrutkar D. Rakesh and Tambe R. Santosh

DOI: 10.2174/1573409915666190916100437

Research Article

A Drug Decision Support System for Developing a Successful Drug Candidate Using Machine Learning Techniques

, 16(4): 407 - 419

Aytun Onay* and Melih Onay

DOI: 10.2174/1573409915666190716143601

Research Article

Identification of Novel Phyto-chemicals from Ocimum basilicum for the Treatment of Parkinson’s Disease using In Silico Approach

, 16(4): 420 - 434

Nageen Mubashir, Rida Fatima and Sadaf Naeem*

DOI: 10.2174/1573409915666190503113617

Research Article

In Silico Screening for Anti-inflammatory Bioactive Molecules from Ayurvedic Decoction, Balaguluchyadi kashayam

, 16(4): 435 - 450

Rahitha Devi S. J. and Prakash Kumar B.*

DOI: 10.2174/1573409915666191015113753

Research Article

Schistosomal Sulfotransferase Interaction with Oxamniquine Involves Hybrid Mechanism of Induced-fit and Conformational Selection

, 16(4): 451 - 459

Fortunatus C. Ezebuo* and Ikemefuna C. Uzochukwu

DOI: 10.2174/1573409915666190708103132

Research Article

Research Article

In Silico Docking of Vitamin E Isomers on Transport Proteins

, 16(4): 467 - 472

Nurul Syeefa Zulkiflee, Siti Amilia Awang, Woo Xian Ming, Muhammad Fauzan Wira’i Kamilan, M Yuveneshwari Mariappan and Tan Jen Kit*

DOI: 10.2174/1573409915666190614113733

Research Article

Combined QSAR Model and Chemical Similarity Search for Novel HMGCoA Reductase Inhibitors for Coronary Heart Disease

, 16(4): 473 - 485

David Mary Rajathei*, Subbiah Parthasarathy and Samuel Selvaraj

DOI: 10.2174/1573409915666190904114247

Research Article

Synthesis, Antitumor Activity, Molecular Docking and DFT Study of Novel Pyrimidiopyrazole Derivatives

, 16(4): 486 - 499

Asmaa M. Fahim*, Mohamed S. Elshikh and Noura M. Darwish

DOI: 10.2174/1573409915666190710094425


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
View Full Editorial Board

Journal History

Current Computer-Aided Drug Design was introduced in 2005 and Dr. Subhash C. Basak is acting as an Editor-in-Chief since 2012.

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