Sreeram Sudhir (2022) A scientifc pharmacognosy on Gaucher’s disease: an in silico analysis. Environmental Science and Pollution Research, 29. pp. 25308-25317.

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Abstract

From ancient times, studies on herbal medicine and pharmacognosy have increased gradually worldwide, due to the increased
side efects, adverse drug reactions, and charge lines of modern medicines. Plants are well known for their medicinal efects
and nutritional values. They contain bioactive compounds which display a wide spectrum of therapeutic efects. Gaucher’s
disease (GD) is a rare autosomal recessively inherited metabolic disorder caused due to the defect in Glucosylceramidase
beta gene coding for the enzyme acid-β-glucosidase in humans. We revealed the profound binding efciency of fve selected
bioactive compounds from diferent plants against the main enzyme acid-β-glucosidase responsible for GD through molecular docking. An in silico approach along with the ADMET profles of phytocompounds was done using the Schrodinger
software. The preventive measure of GD leads to side efects, inaccessible and unafordable which put forth the emergence
of phytocompounds which have fewer toxic efects, and one such compound is β-D-Glucopyranose with the best docking
score (–10.28 kcal/mol) and an excellent binding afnity than other ligands, which could be further analyzed for stability
using molecular dynamics study and in vitro. Being a dietary supplement, these compounds could be prepared in any form
of formulation as a drug.

Item Type: Article
Uncontrolled Keywords: Acid-β-glucosidase · Pharmacognosy · In silico analysis · ADMET · Phytocompounds
Depositing User: Mr Team Mosys
Date Deposited: 16 Mar 2023 05:52
Last Modified: 16 Mar 2023 05:52
URI: http://ir.psgcas.ac.in/id/eprint/1788

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