Benzofuran-oxadiazole hybrids: Design, synthesis, antitubercular activity and molecular docking studies

2019 ◽  
Vol 19 ◽  
pp. 100178 ◽  
Author(s):  
Veerabhadrayya S. Negalurmath ◽  
Sathish Kumar Boda ◽  
Obelannavar Kotresh ◽  
P.V. Anantha Lakshmi ◽  
Mahantesha Basanagouda
Keyword(s):  
Molecular Docking ◽  
Antitubercular Activity ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies

scholarly journals Design, Synthesis, Molecular Docking Studies and Antitubercular Evaluation of Hexahydroquinolin-2-yl Benzamide Derivatives

2021 ◽  
Vol 33 (8) ◽  
pp. 1923-1928
Author(s):  
N. Raghavendra Babu ◽  
G.S.N. Koteswara Rao ◽  
Rajasekhar Reddy Alavala ◽  
P.S. Lakshmi Soukya
Keyword(s):  
Molecular Docking ◽  
Antitubercular Activity ◽  
Docking Studies ◽  
Significant Activity ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Zebrafish Larvae ◽  
H37rv Strain ◽  
Target Dna ◽  
Benzamide Derivatives

A new series of hexahydroquinolin-2-yl benzamide derivatives (BZ1-10) were designed and synthesized. The synthesized compounds were characterized by 1H NMR, IR and ESI-MS spectra and also subjected for molecular docking studies with the target DNA gyrase enzyme (PBD ID: 4B6C). The molecular docking results of synthesized derivatives indicated the best docking score of -5.105 and -5.02 for BZ9 and BZ4, respectively. All the synthesized compounds were screened for antitubercular activity against H37RV strain, among all, two compounds exhibited significant activity at 12.5 μg/mL and 25 μg/mL concentrations. Thus, the MIC values are in between range of 12.5 and 6.25 μg/mL concentrations. The teratogenicity assay of synthesized compounds was performed in zebrafish larvae, out of the ten compounds, BZ4, BZ6 and BZ8 compounds were found to safer at 0.5 μM concentration without any abnormalities.

Indazoles as potential c-met inhibitors: Design, synthesis and molecular docking studies

2013 ◽  
Vol 65 ◽  
pp. 112-118 ◽  
Author(s):  
Lianbao Ye ◽  
Xiaomin Ou ◽  
Yuanxin Tian ◽  
Bangwei Yu ◽  
Yan Luo ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies

Design, synthesis, in-vitro evaluation and molecular docking studies of novel indole derivatives as inhibitors of SIRT1 and SIRT2

2019 ◽  
Vol 92 ◽  
pp. 103281 ◽  
Author(s):  
Ramu Manjula ◽  
Nikhila Gokhale ◽  
Sruthi Unni ◽  
Prashant Deshmukh ◽  
Rajkumar Reddyrajula ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Indole Derivatives ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Molecular Docking Studies
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