Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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Most Cited Article

Quality by Design Approach for Development and Characterisation of Solid Lipid Nanoparticles of Quetiapine Fumarate

Volume:16   Issue:1
Pp: 73-91
Shweta Agarwal*, Rayasa S. Ramachandra Murthy, Sasidharan Leelakumari Harikumar and Rajeev Garg
DOI: 10.2174/1573409915666190722122827

Synthesis, In silico and Biological Studies of Thiazolyl-2h-chromen-2-one Derivatives as Potent Antitubercular Agents

Volume:16   Issue:5
Pp: 511-522
Bhagwat S. Jadhav, Ramesh S. Yamgar*, Rajesh S. Kenny, Suraj N. Mali, Hemchandra K. Chaudhari and Mustapha C. Mandewale
DOI: 10.2174/1386207322666190722162100

3D-QSAR and Molecular Docking Studies on Design Anti-Prostate Cancer Curcumin Analogues

Volume:16   Issue:3
Pp: 245-256
Xi Meng, Lianhua Cui, Fucheng Song, Mingyuan Luan, Junjie Ji, Hongzong Si*, Yunbo Duan and Honglin Zhai
DOI: 10.2174/1573409914666181029123746

Parsimony Principle and its Proper use/ Application in Computer-assisted Drug Design and QSAR promotion: free to download

Volume:16   Issue:1
Pp: 1-5
Subhash C. Basak and Marjan G. Vracko
DOI: 10.2174/157340991601200106122854

Synthesis, SAR, Molecular Docking and Anti-Microbial Study of Substituted N-bromoamido-2-aminobenzothiazoles

Volume:16   Issue:5
Pp: 530-540
Devidas G. Anuse*, Bapu R. Thorat, Sudhir Sawant, Ramesh S. Yamgar*, Hemchandra K. Chaudhari and Suraj N. Mali
DOI: 10.2174/1573409915666190902143648

Synthesis and Anti-mycobacterium Study on Halo-substituted 2-aryl oxyacetohydrazones

Volume:16   Issue:5
Pp: 618-628
Vijay J. Desale, Suraj N. Mali, Hemchandra K. Chaudhari, Maya C. Mali, Bapu R. Thorat* and Ramesh S. Yamgar
DOI: 10.2174/1573409915666191018120611

Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles Derivatives

Volume:16   Issue:6
Pp: 802-813
Devidas G. Anuse, Suraj N. Mali, Bapu R. Thorat*, Ramesh S. Yamgar and Hemchandra K. Chaudhari
DOI: 10.2174/1573409915666191210125647

The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR

Volume:16   Issue:3
Pp: 197-206
Andrey A. Toropov* and Alla P. Toropova
DOI: 10.2174/1573409915666190328123112

Targeting Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors

Volume:16   Issue:5
Pp: 605-617
Kauê Santana da Costa*, João M. Galúcio, Deivid Almeida de Jesus, Guelber Cardoso Gomes, Anderson Henrique Lima e Lima, Paulo S. Taube, Alberto M. dos Santos and Jerônimo Lameira*
DOI: 10.2174/1573409915666191025114009

Computational Studies of bis-2-Oxoindoline Succinohydrazides and their In Vitro Cytotoxicity

Volume:16   Issue:3
Pp: 270-280
Ravi Jarapula, Vishnu N. Badavath, Shriram Rekulapally and Sarangapani Manda*
DOI: 10.2174/1573409915666190117122139

Molecular Modeling and Docking of Aquaporin Inhibitors to Reveal New Insights into Schistosomiasis Treatment open access plus

Volume:16   Issue:6
Pp: 772-785
Meshari Alazmi*
DOI: 10.2174/1573409915666191003124947

Multi-Targeted Design and Development of Dihydroisoquinolines as Potent Antimalarials

Volume:16   Issue:6
Pp: 734-740
Raviraj V. Mule*, Sneha P. Rochlani, Prafulla B. Choudhari, Rakesh P. Dhavale and Manish S. Bhatia
DOI: 10.2174/1573409915666191017145833

Characterization of the Trypanosoma brucei Pteridine Reductase Active- Site using Computational Docking and Virtual Screening Techniques

Volume:16   Issue:5
Pp: 583-598
Hina Shamshad, Abdul Hafiz, Ismail I. Althagafi, Maria Saeed and Agha Zeeshan Mirza*
DOI: 10.2174/1573409915666190827163327

In silico Insights on IL-6: A Potential Target for Multicentric Castleman Disease

Volume:16   Issue:5
Pp: 641-653
Abhishek Aher, Trishang Udhwani, Ravina Khandelwal, Akanksha Limaye, Tajamul Hussain, Anuraj Nayarisseri* and Sanjeev Kumar Singh*
DOI: 10.2174/1573409915666190902142524

Novel Computational Approaches to Developing Potential STAT4 Silencing siRNAs for Immunomodulation of Atherosclerosis

Volume:16   Issue:5
Pp: 599-604
Sakineh Poorhosein Fookolaee, Samad Karkhah, Mahdiye Saadi, Subho Majumdar and Ahmad Karkhah*
DOI: 10.2174/1573409915666191018125653

Partial Order in Environmental Chemistry

Volume:16   Issue:3
Pp: 257-269
Rainer Bruggemann* and Lars Carlsen
DOI: 10.2174/1573409915666190416160350

A Generic Computer-Assisted Four-Pronged Approach for the Management of Emerging Global Pathogens: Some Comments on COVID-19 promotion: free to download

Volume:16   Issue:4
Pp: 351-353
Subhash C. Basak, Subhabrata Majumdar, Marjan Vracko, Ashesh Nandy and Apurba Bhattacharjee
DOI: 10.2174/1573409916999200316102548