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In silico screening of active constituent of Couroupita guianensis against Mycobacterium

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Original Article

Author Details : Gopinathan Narasimhan*

Volume : 7, Issue : 3, Year : 2020

Article Page : 125-134

https://doi.org/10.18231/j.ijpca.2020.020

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Abstract

Background: A vital need to ascertain novel anti-tubercular agent which is the volatile global spreading
of multidrug resistant Mycobacterium tuberculosis. Enoyl-acyl carrier protein reductase is one among such
target. It is one of the key enzymes involved in the type II fatty acid biosynthesis pathway of M. tuberculosis.
Objective: In this study, in silico evaluations were employed in screening of active constituent of
Couroupita guianensis against Enoyl-acyl carrier protein reductase of Mycobacterium tuberculi.
Materials and Methods: Totally 16 compounds namely Isatin, Indigo, Coup 2, Indirubin,
Calotronaphthalene, Coup, Alpha Amyrin, Nerol, Betasitosterol, Campesterol, Eugenol, Tryptanthrin,
Benzyl Alcohol, Betaamyrin and Farnesol were subjected to in silico screening. Glide software of
Schrodinger was used to carry out the current work.
Results: The compounds exhibit good docking score and few with hydrogen bond interaction. Isoniazid
was used as the standard and validation was performed. The results have shown that derivatives were proved
to be highly potent inhibitors against Mycobacterium tuberculosis enoyl acyl carrier protein reductase.
Conclusion: Most of the compounds exhibit hydrophobic interaction. Then isatin and eugenol can be tested
against Mycobacterium tuberculi.

Keywords: Couroupita guianensis, Enoyl acyl carrier protein reductase, In silico screening, Mycobacterium tuberculi.

How to cite : Narasimhan G, In silico screening of active constituent of Couroupita guianensis against Mycobacterium. Int J Pharm Chem Anal 2020;7(3):125-134

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