Search Result "molecular docking"


Review Article

Molecular Docking and Drug Discovery in β-Adrenergic Receptors

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4340-4359
Author(s): Santiago Vilar,Eduardo Sobarzo-Sanchez,Lourdes Santana,Eugenio Uriarte

Research Article

Green Synthesis and Molecular Docking of Thiazolyl-thiazole Derivatives as Potential Cytotoxic Agents

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 17 Issue: 9 Year: 2017 Page: 805-815
Author(s): Sobhi M. Gomha, Mohamad R. Abdelaziz, Hassan M. Abdel-Aziz, Shaimaa A. Hassan

Research Article

3D-QSAR, Molecular Docking and Molecular Dynamics Studies of 2,4- Diarylaminopyrimidine Analogues (DAAP Analogues) as Potent ALK Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 3 Year: 2017 Page: 270-286
Author(s): Fulong Wu,Qianqian Lv,Zhonghua Wang,Dandan Li,Peng Peng,Yan Yin,Siheng Cui,Fanhong Wu

Research Article

QSAR and Molecular Docking Directed Synthesis and Preliminary Evaluation of Novel Non-Nucleoside HCV NS5B Polymerase Inhibitors

Journal: Anti-Infective Agents
Volume: 15 Issue: 1 Year: 2017 Page: 52-56
Author(s): Vaishali M. Patil,Neeraj Masand,Gurukumar K. R,Maksim Chudayeu,Satya Prakash Gupta,Subeer Samanta,Neerja Kaushik-Basu

Research Article

Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 8 Year: 2017 Page: 682-695
Author(s): Mohd Athar,Mohsin Y. Lone,Vijay M. Khedkar,Ashish Radadiya,Anamik Shah,Prakash C. Jha

Research Article

Molecular Docking and Structure Activity Relationship Studies of NSAIDs. What do they Reveal about IC50?

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 8 Year: 2017 Page: 949-958
Author(s): Chrysoula Mikra,Georgios Rossos,Sotirios K. Hadjikakou,Nikolaos Kourkoumelis

Research Article

Synthesis, Molecular Docking and Pharmacological Study of Pyrimidothiadiazinones and its bis-derivatives

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 4 Year: 2017 Page: 434-443
Author(s): Sobhi M. Gomha,Ikhlass M. Abbas,Mohamed A. A. Elneairy,Mahmoud M. Elaasser,Bazada K. A. Mabrouk

Research Article

Molecular Docking, Synthesis and CNS Activity of Some Novel 1, 4-Benzodiazepine Derivatives

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 6 Year: 2017 Page: 690-698
Author(s): Sunil S. Menghani, Rupesh Chikhale, Amit Pant, Bijo Mathew, Pramod Khedekar

Research Article

Computational Screening of CCR5 Inhibitors as Potential Entry Inhibitor Microbicides Using 3D-QSAR Studies, Docking and Molecular Dynamics Simulation

Journal: Current HIV Research
Volume: 15 Issue: 4 Year: 2017 Page: 234-244
Author(s): Radhika Ramachandran,Muthusankar Aathi,Durairaj D. Ruban,Shanmughavel Piramanyagam

Research Article

3D-QSAR Modeling and Molecular Docking Study on Small Molecule Stat3 Inhibitors, Src Homology 2 Domain Binders

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 1 Year: 2017 Page: 36-49
Author(s): Jing Li Wang,Li Ping Cheng,Yang Ping Quan,Zhen Wang,Fan Hong Wu,Wei Deng

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