Please use this identifier to cite or link to this item: http://localhost:8080/xmlui/handle/123456789/3420
Title: A SCIENTIFIC PHARMACOGNOSY ON GAUCHER’S DISEASE: AN IN SILICO ANALYSIS
Authors: Sasikumar, A P
Ramaswamy, S K
Sudhir, S
Keywords: Acid-β-glucosidase
ADMET
In silico analysis
Pharmacognosy
Phytocompounds
Issue Date: Apr-2022
Publisher: Springer Science and Business Media
Abstract: From ancient times, studies on herbal medicine and pharmacognosy have increased gradually worldwide, due to the increased side effects, adverse drug reactions, and charge lines of modern medicines. Plants are well known for their medicinal effects and nutritional values. They contain bioactive compounds which display a wide spectrum of therapeutic effects. 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 efficiency of five selected bioactive compounds from different plants against the main enzyme acid-β-glucosidase responsible for GD through molecular docking. An in silico approach along with the ADMET profiles of phytocompounds was done using the Schrodinger software. The preventive measure of GD leads to side effects, inaccessible and unaffordable which put forth the emergence of phytocompounds which have fewer toxic effects, and one such compound is β-D-Glucopyranose with the best docking score (–10.28 kcal/mol) and an excellent binding affinity 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.
URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-85120041865&doi=10.1007%2fs11356-021-17534-y&origin=inward&txGid=a1b72d9a3a5f7c48a5b2b9636c1e6227
ISSN: 09441344
Appears in Collections:National Journals

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