Current Computer-Aided Drug Design


Subhash C. Basak
University of Minnesota Duluth
Duluth, MN

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Volume 17 - Issue 2

Synthesis, In vitro, and Docking Analysis of C-3 Substituted Coumarin Analogues as Anticancer Agents

Volume: 17   Issue: 2
Pp: 161-172
Anuradha Thakur, Kamalpreet Kaur, Praveen Sharma, Ramit Singla, Sandeep Singh and Vikas Jaitak*
DOI: 10.2174/1573409916666200120114641

In vitro and In silico Analysis of the Anti-diabetic and Anti-microbial Activity of Cichorium intybus Leaf extracts

Volume: 17   Issue: 2
Pp: 173-186
Suganya Ramakrishnamurthy, Ganesan Singaravelu, Velmurugan Devadasan and Aruna Prakasarao*
DOI: 10.2174/1573409916666200129100930

Computer Assisted Models for Blood Brain Barrier Permeation of 1, 5-Benzodiazepines

Volume: 17   Issue: 2
Pp: 187-200
Rakesh P. Dhavale*, Prafulla B. Choudhari and Manish S. Bhatia
DOI: 10.2174/1573409916666200131114018

Design, Synthesis, Docking and Biological Evaluation of Novel 4-hydroxy Coumarin Derivatives

Volume: 17   Issue: 2
Pp: 201-213
N. Ramalakshmi, S.R. Chitra*, P. Manimegalai and S. Arunkumar
DOI: 10.2174/1573409916666200131142619

Investigation of New Inhibitors of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) by Virtual Screening with Antibacterial Assessment

Volume: 17   Issue: 2
Pp: 214-224
Ilham Boulhissa*, Abdelouahab Chikhi, Abderrahmane Bensegueni, Mohammad A. Ghattas, El H. Mokrani, Sara Alrawashdeh and Dana E.E. Obaid
DOI: 10.2174/1573409916666200213124929

Designing Novel Teduglutide Analogues with Improved Binding Affinity: An In Silico Peptide Engineering Approach

Volume: 17   Issue: 2
Pp: 225-234
Ali A. Alizadeh and Siavoush Dastmalchi*
DOI: 10.2174/1573409916666200217091456

Design and Synthesis of New Antifungals Based on N-Un-substituted Azoles as 14α Demethylase Inhibitor

Volume: 17   Issue: 2
Pp: 235-243
Asghar Davood*, Aneseh Rahimi, Maryam Iman, Parisa Azerang, Soroush Sardari and Arash Mahboubi
DOI: 10.2174/1573409916666200217090855

DFT based Computational Methodology of IC50 Prediction

Volume: 17   Issue: 2
Pp: 244-253
Arijit Bag*
DOI: 10.2174/1573409916666200219115112

Proteomic Analysis of Medicinal Plant Calotropis Gigantea by In Silico Peptide Mass Fingerprinting

Volume: 17   Issue: 2
Pp: 254-265
Saad Ur Rehman*, Muhammad Rizwan, Sajid Khan, Azhar Mehmood and Anum Munir
DOI: 10.2174/1573409916666200219114531

Employment of Quality by Design Approach via Response Surface Methodology to Optimize and Develop modified-release Formulation of Hydrochlorothiazide

Volume: 17   Issue: 2
Pp: 266-280
Vikas D. Singhai, Rahul Maheshwari*, Swapnil Sharma and Sarvesh Paliwal
DOI: 10.2174/1573409916666200226114517

Synthesis, In silico and In vitro Analysis of Hydrazones as Potential Antituberculosis Agents

Volume: 17   Issue: 2
Pp: 294-306
Bapu R. Thorat*, Suraj N. Mali*, Deepa Rani and Ramesh S. Yamgar
DOI: 10.2174/1573409916666200302120942

Exploration of Diosmin to Control Diabetes and Its Complications-an In Vitro and In Silico Approach

Volume: 17   Issue: 2
Pp: 307-313
Kushagra Dubey*, Raghvendra Dubey, Revathi Gupta and Arun Gupta
DOI: 10.2174/1573409916666200324135734

Clustering of Zika Viruses Originating from Different Geographical Regions using Computational Sequence Descriptors

Volume: 17   Issue: 2
Pp: 314-322
Marjan Vračko*, Subhash C. Basak, Dwaipayan Sen and Ashesh Nandy
DOI: 10.2174/1573409916666191226110936

In Silico and In Vitro Studies of Natural Compounds as Human CK2 Inhibitors

Volume: 17   Issue: 2
Pp: 323-331
Samer Haidar*, Franziska Jürgens, Dagmar Aichele and Joachim Jose
DOI: 10.2174/1573409916666200311150744