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Understanding the Structural Requirements in Diverse Scaffolds for the Inhibition of P. falciparum Dihydroorotate Dehydrogenase (PfDHODH) Using 2D-QSAR, 3D-Pharmacophore and Structure-Based Energy- Optimized Pharmacophore Models

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 217-226
Author(s): Rahul Balasaheb Aher,Kunal Roy

Computational Insights into the Inhibition of Influenza Viruses by Rupestonic Acid Derivatives: Pharmacophore Modeling, 3D-QSAR, CoMFA and COMSIA Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 1 Year: 2015 Page: 63-74
Author(s): Karthikeyan Muthusamy,Palani Kirubakaran,Gopinath Krishnasamy,Raja Rajeshwari Thanashankar

In silico Screening for Identification of Novel Anti-malarial Inhibitors by Molecular Docking, Pharmacophore Modeling and Virtual Screening

Journal: Medicinal Chemistry
Volume: 11 Issue: 7 Year: 2015 Page: 687-700
Author(s): Sidra Batool,Zeshan Aslam Khan,Warda Kamal,Gohar Mushtaq,Mohammad Amjad Kamal

QSAR Analysis of Some Antagonists for p38 map kinase Using Combination of Principal Component Analysis and Artificial Intelligence

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 8 Year: 2015 Page: 767-783
Author(s): Elham Doosti,Mohsen Shahlaei

Development of Structure Activity Correlation Model on Azetidin-2-ones as Tubulin Polymerization Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 5 Year: 2015 Page: 351-365
Author(s): Vijay Kumar Patel,Kavibhushan Singh Chouhan,Avineesh Singh,Deepak Kumar Jain,Ravichandran Veerasamy,Pradeep Kumar. Singour,Rajesh Singh Pawar,Harish Rajak

Considering Autotaxin Inhibitors in Terms of 2D-QSAR and 3D-Mapping- Review and Evaluation

Journal: Current Medicinal Chemistry
Volume: 22 Issue: 1 Year: 2015 Page: 1428-1461
Author(s): Sotirios Katsamakas, Eleftherios Bermperoglou, Dimitra Hadjipavlou-Litina

New Horizons in Antimalarial Drug Discovery in the Last Decade by Chemoinformatic Approaches

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 129-150
Author(s): Premlata K. Ambre,Ravindra D. Wavhale,Evans C. Coutinho

Editorial free to download

Editorial: Importance of Experimental Validation of Pharmacophore Based Virtual Screening of Compound Databases

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 100-101
Author(s): Subhash C. Basak,Apurba K. Bhattacharjee

Understanding the Dual Inhibition of COX-2 and Carbonic Anhydrase-II by Celecoxib and CG100649 Using Density Functional Theory Calculations and other Molecular Modelling Approaches

Journal: Protein & Peptide Letters
Volume: 22 Issue: 10 Year: 2015 Page: 903-912
Author(s): Omkar Singh,Kumar R. Kakularam,Pallu Reddanna,Polamarasetty Aparoy

De Novo Design of High Potent DPP-IV Inhibitors Based on the Scaffold of Cyanopyrrolidine

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 6 Year: 2015 Page: 479-487
Author(s): Yu-Lei Jiang,Hao-Liang Yuan,Wei-Wei Zhang,Hai-Chun Liu,Yan-Min Zhang,Xiao Xiong,Jin-Xing Xu,Shuai Lu,Tao Lu,Ya-Dong Chen

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