Predicting multi-enzyme inhibition in the arachidonic acid metabolic network by Heritiera fomes extracts.

Autor:	Salekeen R; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh., Mou SN; Department of Biochemistry and Molecular Biology, Faculty of Biological Science, University of Dhaka, Dhaka, Bangladesh., Islam ME; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh., Ahmed A; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh., Billah MM; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh., Rahman SMM; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh., Islam KMD; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh.
Jazyk:	angličtina
Zdroj:	Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022 Jun; Vol. 40 (9), pp. 4259-4272. Date of Electronic Publication: 2020 Dec 07.
DOI:	10.1080/07391102.2020.1855248
Abstrakt:	Heritiera fomes is a mangrove plant with a rich history of ethnomedicinal usage against chronic inflammation. Biochemical analyses of H. fomes have exposed a plethora of bioactive phytochemicals that contribute to this therapeutic effect by perturbing enzymes of a complex inflammatory network mediated by arachidonic acid (AA) metabolism. This study is the first instance of utilizing cheminformatic approaches to elucidate a molecular linkage between these phytochemical interventions and the multi-enzyme AA metabolic network regulation. Analysis of the simulations reflects H. fomes as a functional reservoir of multiple safe and potent natural anti-inflammatory compounds. The investigation suggests two phytocompounds extracted from the plant: a sesquiterpene lactone and a flavone glycoside, as candidate inhibitors of multiple catalytic checkpoints of the inflammatory network. The outcomes of this research act as a primary guideline for future laboratory and clinical testing of anti-inflammatory potentials of H. fomes as an exploitable source of safe and potent drug-like molecules.Communicated by Ramaswamy H. Sarma.
Databáze:	MEDLINE
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