Current Computer-Aided Drug Design

Editor-in-Chief

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

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Most Accessed Articles

2D- and 3D-QSAR Modeling of Imidazole-Based Glutaminyl Cyclase Inhibitors

Volume: 16   Issue: 6
Pp: 682-697
Omar Husham Ahmed Al-Attraqchi and Katharigatta N. Venugopala*
DOI: 10.2174/1573409915666190918150136

Identification of Novel Cyclin A2 Binding Site and Nanomolar Inhibitors of Cyclin A2-CDK2 Complex

Volume: 17   Issue: 1
Pp: 57-68
Stephanie S. Kim, Michele J. Alves, Patrick Gygli, Jose Otero* and Steffen Lindert*
DOI: 10.2174/1573409916666191231113055

Structure-based Discovery of Narirutin as a Shikimate kinase Inhibitor with Anti-tubercular Potency

Volume: 16   Issue: 5
Pp: 523-529
Pramod Kumar Sahu, Pranab Kishor Mohapatra*, Dhanji Popatbhai Rajani and Mukesh Kumar Raval*
DOI: 10.2174/1573409915666191025112150

Molecular Dynamics Assisted Mechanistic Insight of Val430-Ala Mutation of Rv1592c Protein in Isoniazid Resistant Mycobacterium Tuberculosis

Volume: 17   Issue: 1
Pp: 95-106
Arbind Kumar*, Pradeep K. Anand, Saahil Chandel, Anju Shrivatava and Jagdeep Kaur*
DOI: 10.2174/1573409916666200115120051

Design of Potential IKK-β Inhibitors using Molecular Docking and Molecular Dynamics Techniques for their Anti-cancer Potential

Volume: 17   Issue: 1
Pp: 83-94
Salam P. Singh*, Iftikar Hussain, Bolin K. Konwar, Ramesh C. Deka and Chingakham B. Singh
DOI: 10.2174/1573409916666200102121505

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

Volume: 16   Issue: 4
Pp: 389-401
Hanane Boucherit*, Abdelouahab Chikhi, Abderrahmane Bensegueni, Amina Merzoug and Jean-Michel Bolla
DOI: 10.2174/1573409915666190617165643

Interactions of Flavone and Steroid from A. subintegra as Potential Inhibitors for Porcine Pancreatic Lipase

Volume: 16   Issue: 6
Pp: 698-706
Mastura Ibrahim, Saripah Salbiah Syed Abdul Azziz*, Chee Fah Wong*, Yuhanis Mhd Bakri and Fauziah Abdullah
DOI: 10.2174/1573409915666191015112320

Prediction of Oral Acute Toxicity of Organophosphates Using QSAR Methods

Volume: 17   Issue: 1
Pp: 38-56
Mina Kianpour, Esmat Mohammadinasab* and Tahereh M. Isfahani
DOI: 10.2174/1573409916666191227093237

Combined QSAR Model and Chemical Similarity Search for Novel HMG-CoA Reductase Inhibitors for Coronary Heart Disease

Volume: 16   Issue: 4
Pp: 473-485
David Mary Rajathei*, Subbiah Parthasarathy and Samuel Selvaraj
DOI: 10.2174/1573409915666190904114247

Virtual Screening-Based Discovery of Potent Hypoglycemic Agents: In Silico, Chemical Synthesis and Biological Study

Volume: 16   Issue: 6
Pp: 741-756
Mohammed A. Khedr *, Omar M. M. Mohafez and Ibrahim A. Al-Haider
DOI: 10.2174/1573409915666191018121558

In silico Studies, Synthesis and Antitubercular Activity of Some Novel Quinoline - Azitidinone Derivatives

Volume: 17   Issue: 1
Pp: 134-143
Trupti S. Chitre*, Kalyani D. Asgaonkar, Amrut B. Vikhe, Shital M Patil, Dinesh R. Garud, Vijay M. Khedkar, Dhiman Sarkar, Laxman U. Nawale and Amar Yeware
DOI: 10.2174/1573409916666200129095952

Phytochemical and Pharmacophoric Fragment Based Anticancer Drug Development

Volume: 17   Issue: 1
Pp: 22-31
S.P. Rochlani*, L.K. Dahiwade and P.B. Choudhari
DOI: 10.2174/1573409916666200212122445

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

Volume: 16   Issue: 4
Pp: 486-499
Asmaa M. Fahim*, Mohamed S. Elshikh and Noura M. Darwish
DOI: 10.2174/1573409915666190710094425