In Silico Molecular Docking Study of Repensine and Bentysrepinine against HBV DNA Polymerase

2015 ◽  
Vol 7 (1) ◽  
pp. 39-44 ◽  
Author(s):  
Fan-cui Meng ◽  
Wei-ren Xu ◽  
Ya-zhuo Li ◽  
Zheng-ming Huang ◽  
Guang-yi Liang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Polymerase ◽  
In Silico ◽  
Docking Study ◽  
Hbv Dna ◽  
Molecular Docking Study ◽  
In Silico Molecular Docking

scholarly journals Synthesis, Characterization, in vitro Antimicrobial Evaluation and in silico Molecular Docking and ADME Prediction of 4-Chlorophenyl Furfuran Derivatives bearing Pyrazole Moieties

2020 ◽  
Vol 32 (6) ◽  
pp. 1482-1490
Author(s):  
Manju Mathew ◽  
Raja Chinnamanayakar ◽  
Ezhilarasi Muthuvel Ramanathan
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Docking Study ◽  
Docking Studies ◽  
Moderate Activity ◽  
Molecular Docking Study ◽  
Adme Prediction ◽  
Antimicrobial Studies ◽  
In Silico Molecular Docking

A series of 1-(5-(5-(4-chlorophenyl)furan-2-yl)-4,5-dihyropyrazol-1-yl ethanone (5a-h) was synthesized through E-(3-(5-(4-chloro-phenyl)furan-2-yl)-1-phenylprop-2-en-1-one (3a-h) with hydrazine monohydrate and sodium acetate. Totally, eight compounds were synthesized and their structures were elucidated by infrared, 1H & 13C NMR, elemental analysis, antimicrobial studies, in silico molecular docking studies and also in silico ADME prediction. Antimicrobial studies of the synthesized compounds showed good to moderate activity against the all the stains compared with standard drugs. in silico Molecular docking study was carried out using bacterial protein and BC protein. Synthesized compounds (5a-h) showed good docking score compared with ciprofloxacin. Antimicrobial study was carried out for 4-chlorophenyl furfuran pyrazole derivatives (5a-h). The results of assessment of toxicities, drug likeness and drug score profiles of compounds (5a-j) are promising

Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

2017 ◽  
Vol 41 (19) ◽  
pp. 10686-10694 ◽  
Author(s):  
Nirav H. Sapariya ◽  
Beena K. Vaghasiya ◽  
Rahul P. Thummar ◽  
Ronak D. Kamani ◽  
Kirit H. Patel ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Combinatorial Library ◽  
Docking Study ◽  
Biological Evaluation ◽  
Molecular Docking Study ◽  
Cyclocondensation Reaction ◽  
In Silico Molecular Docking

A combinatorial library of polyhydroquinoline scaffolds is successfully attempted by multicomponent cyclocondensation reaction.

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