Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel 4-[4-Arylpyridin-1(4H)-yl]benzoic Acid Derivatives as Anti-HIV-1 Agents

2017 ◽  
Vol 14 (12) ◽  
pp. e1700295 ◽  
Author(s):  
Saghi Sepehri ◽  
Sepehr Soleymani ◽  
Rezvan Zabihollahi ◽  
Mohammad R. Aghasadeghi ◽  
Mehdi Sadat ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Benzoic Acid ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies ◽  
Benzoic Acid Derivatives ◽  
Anti Hiv ◽  
Hiv 1

scholarly journals Benzoic Acid Derivatives with Trypanocidal Activity: Enzymatic Analysis and Molecular Docking Studies toward Trans-Sialidase

Molecules ◽  
2017 ◽  
Vol 22 (11) ◽  
pp. 1863 ◽  
Author(s):  
Muhammad Kashif ◽  
Antonio Moreno-Herrera ◽  
Juan Villalobos-Rocha ◽  
Benjamín Nogueda-Torres ◽  
Jaime Pérez-Villanueva ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Benzoic Acid ◽  
Docking Studies ◽  
Enzymatic Analysis ◽  
Trypanocidal Activity ◽  
Molecular Docking Studies ◽  
Benzoic Acid Derivatives

scholarly journals Molecular docking studies of some novel 2 & 3-(4-aminobenzamido) benzoic acid derivatives as DHFR inhibitors for treatment of tuberculosis

2020 ◽  
Vol 13 (3) ◽  
pp. 262-271
Author(s):  
Prashik B. D udhe ◽  
Hardik G. Bhatt
Keyword(s):  
Free Energy ◽  
Molecular Docking ◽  
Benzoic Acid ◽  
Docking Studies ◽  
Reference Standard ◽  
Binding Interaction ◽  
Molecular Docking Studies ◽  
Benzoic Acid Derivatives ◽  
Dhfr Inhibitors ◽  
Free Energy Of Binding

A Novel series 2 & 3-(4-aminobenzamido) benzoic acid derivatives were designed virtually considering the basic pharmacophore N-(3,5-bis (trifluoromethyl) phenyl)- 5-chloro-2-hydroxybenzamide.The energy minimized conformers of each molecule was generated and docked with M. tuberculosis DHFR enzyme with PDB id: 1DF7 using Autodock 4.2.5.1. Most of the molecules have shown significant binding interaction with the receptor. Among the test compounds, DX-35, DY-24, DX-18, DX-31 & DY-23 have shown highest free energy of binding -9.51 to -8.92 kcal/mol and also the very good estimated inhibitory constant in a range of 0.11 to 0.29 Ki μM, which is comparable to that of the reference standard methotrexate and the standard Anti-Tb drug Ciprofloxacin.

Synthesis, biological evaluation and molecular docking studies of 1,3-benzoxazine derivatives as potential anticancer agents

2013 ◽  
Vol 22 (11) ◽  
pp. 5256-5266 ◽  
Author(s):  
Vikas Garg ◽  
Ankit Kumar ◽  
Anurag Chaudhary ◽  
Saurabh Agrawal ◽  
Praveen Tomar ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Agents ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Molecular Docking Studies
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