Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products

Abstract G-6-P synthase enzyme has been involved in the synthesis of the microbial cell wall, and its inhibition may lead to the antimicrobial effect. In the present study, we designed a library of amygdalin derivatives, and two most active derivatives selected on the basis of various parameters viz...

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Autores principales:	Amit Lather, Sunil Sharma, Anurag Khatkar
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/f118c9dcf00c4a48b5839993977d9482
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spelling	oai:doaj.org-article:f118c9dcf00c4a48b5839993977d94822021-12-02T16:45:46ZAmygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products10.1038/s41598-020-70895-12045-2322https://doaj.org/article/f118c9dcf00c4a48b5839993977d94822020-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-70895-1https://doaj.org/toc/2045-2322Abstract G-6-P synthase enzyme has been involved in the synthesis of the microbial cell wall, and its inhibition may lead to the antimicrobial effect. In the present study, we designed a library of amygdalin derivatives, and two most active derivatives selected on the basis of various parameters viz. dock score, binding energy, and ADMET data using molecular docking software (Schrodinger’s Maestro). The selected derivatives were synthesized and evaluated for their antioxidant and antimicrobial potential against several Gram (+ ve), Gram (−ve), as well as fungal strains. The results indicated that synthesized compounds exhibited good antioxidant, antimicrobial, and better preservative efficacy in food preparation as compared to the standard compounds. No significant differences were observed in different parameters as confirmed by Kruskal–Wallis test (p < 0.05). Docking results have been found in good correlation with experimental wet-lab data. Moreover, the mechanistic insight into the docking poses has also been explored by binding interactions of amygdalin derivative inside the dynamic site of G-6-P synthase.Amit LatherSunil SharmaAnurag KhatkarNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-10 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Amit Lather Sunil Sharma Anurag Khatkar Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products
description	Abstract G-6-P synthase enzyme has been involved in the synthesis of the microbial cell wall, and its inhibition may lead to the antimicrobial effect. In the present study, we designed a library of amygdalin derivatives, and two most active derivatives selected on the basis of various parameters viz. dock score, binding energy, and ADMET data using molecular docking software (Schrodinger’s Maestro). The selected derivatives were synthesized and evaluated for their antioxidant and antimicrobial potential against several Gram (+ ve), Gram (−ve), as well as fungal strains. The results indicated that synthesized compounds exhibited good antioxidant, antimicrobial, and better preservative efficacy in food preparation as compared to the standard compounds. No significant differences were observed in different parameters as confirmed by Kruskal–Wallis test (p < 0.05). Docking results have been found in good correlation with experimental wet-lab data. Moreover, the mechanistic insight into the docking poses has also been explored by binding interactions of amygdalin derivative inside the dynamic site of G-6-P synthase.
format	article
author	Amit Lather Sunil Sharma Anurag Khatkar
author_facet	Amit Lather Sunil Sharma Anurag Khatkar
author_sort	Amit Lather
title	Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products
title_short	Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products
title_full	Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products
title_fullStr	Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products
title_full_unstemmed	Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products
title_sort	amygdalin based g-6-p synthase inhibitors as novel preservatives for food and pharmaceutical products
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/f118c9dcf00c4a48b5839993977d9482
work_keys_str_mv	AT amitlather amygdalinbasedg6psynthaseinhibitorsasnovelpreservativesforfoodandpharmaceuticalproducts AT sunilsharma amygdalinbasedg6psynthaseinhibitorsasnovelpreservativesforfoodandpharmaceuticalproducts AT anuragkhatkar amygdalinbasedg6psynthaseinhibitorsasnovelpreservativesforfoodandpharmaceuticalproducts
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Amygdalin based G-6-P synthase inhibitors as novel preservatives for food and pharmaceutical products

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