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    A SCIENTIFIC PHARMACOGNOSY ON GAUCHER’S DISEASE: AN IN SILICO ANALYSIS
    (Springer Science and Business Media, 2022-04) Sasikumar, A P; Ramaswamy, S K; Sudhir, S
    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.
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    EVALUATION OF ARTOCARPUS HIRSUTUS FRUIT PULP AGAINST ALZHEIMER'S DISEASE
    (2013-08-31) M., Jeyam; R., Peelaja Rani; G., Shalini; P., Ravikumar
    The present study was aimed to identify the phytoconstituents from the methanolic extract of Artocarpus hirsutus fruit pulp using GC-MS analysis and dock the selected compounds with Acetylcholinesterase, a key target in the treatment of Alzheimer's Disease (AD). From the results of the selected compounds, Ethyl oleate showed better interaction with Acetylcholinesterase which had a better Glide Score of -7.5 Kcal/mol followed by Pentacosanoic acid, methyl ester (-6.7Kcal/mol), Methyl petroselinate (-6.1Kcal/mol), 3-Methyl-3-nonanol (- 5.8Kcal/mol), 2,2-Dimethylpropyl2,2-dimethyl propane sulfinylsulfone (-5.8 Kcal/mol), Methyl tricosaoate (-5.8Kcal/mol) when compared to the synthetic drug Rivastigmine (-5.6Kcal/mol). Further in vitro analysis of methanolic extract proved its high efficiency for antioxidant activity (DPPH radical scavenging activity (90.80%), TPC (7.36±0.06), Reducing power ability (75.16±0.31)). The results of the study clearly indicates that Artocarpus hirsutus fruit pulp can be added as a food supplement to reduce the risk of several diseases related to oxidative stress, especially AD.