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Indian Journal of Pharmaceutical Education and Research, 2019; ():xx-xx
Original Article | doi:

In-silico Designing, Synthesis, SAR and Microbiological Evaluation of Novel Amide Derivatives of 2-(3-methylbenzo[b]thiophen-6-yl)-1- (4-nitrophenyl)-1H-benzo[d]imidazole-5-carboxylic Acid


Authors and affiliation (s):

Tanuj Hooda1,2,*, Sunil Sharma3, Naveen Goyal4

1Uttarakhand Technical University, Dehradun, Uttarakhand, INDIA.

2Vaish Institute of Pharmaceutical Education and Research, Rohtak, Haryana, INDIA.

3Department of Pharmaceutical Sciences, GJUS and T, Hissar, Haryana, INDIA.

4Himachal Institute of Pharmacy, Paonta Sahib, Himachal Pradesh, INDIA.

Abstract:

Due to this increasing problem of antibiotic resistance, the number of different antibiotics available is dwindling and there are only a handful of new antibiotics in the drug development pipeline. Therefore, there is an urgent need for the development of new antimicrobial drugs. In the present study, we have synthesized and investigated antimicrobial activities of novel derivatives with molecular docking studies. In this article, amide derivatives of 2-(3-methylbenzo[b]thiophen-6-yl)-1-(4-nitrophenyl)-1H-benzo[d] imidazole-5-carboxylic acid were synthesized by focusing the aminoacyl-tRNA synthetase (AaRS) and tyrosyl-tRNA synthetase enzymes and inhibition by docking study leads to antimicrobial action. Studies were carried out on a designed amide library of derivatives with the help of Schrodinger’s maestro package and AutoDock Vina 4.2 of molecular docking software against crystal structure of enzymes (PDB ID: 1wny. PDBQTand1jil. PDBQT). Best 23 focused amide derivatives of 2-(3-methylbenzo[b]thiophen-6-yl)-1- (4-nitrophenyl)-1H-benzo[d]imidazole-5-carboxylic acid were selected based upon their dock score for synthesis and further investigated for in vitro antimicrobial.

Key words: Benzimidazole, Molecular Docking (1jil.PDBQT, 1wny.PDBQT), Antimicrobial Activity, SAR.

 

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IJPER - An Official Publication of Association of Pharmaceutical Teachers of India is pleased to announce continued growth in the 2019 Release of Journal Citation Reports (source: 2018 Web of Science Data).

 

Impact Factor® as reported in the 2018 Journal Citation Reports® (Clarivate Analytics, 2019): 0.425

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The Official Journal of Association of Pharmaceutical Teachers of India (APTI)
(Registered under Registration of Societies Act XXI of 1860 No. 122 of 1966-1967, Lucknow)

Indian Journal of Pharmaceutical Education and Research (IJPER) [ISSN-0019-5464] is the official journal of Association of Pharmaceutical Teachers of India (APTI) and is being published since 1967.

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