In-silico Analysis – Phytochemicals against ‘mGluR5’ for Therapeutic Intenvention in the Intellect, in Fragile X Syndrome

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AYUSHI JI
AYUSHI JI

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GJMR Volume 26 Issue K1

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This research explores the potential of phytochemicals as therapeutic agents for Intellectual Disability, specifically targeting the mGluR5 receptor associated with Fragile X Syndrome. Using in silico molecular docking and ADMET analysis, the study identified beta-Bisabolene and Cirisilineol as promising candidates that mimic the binding behavior of the synthetic drug Fenobam while largely adhering to Lipinski's rule of five.
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Intellectually different ability or intellectual disability (ID)’ exhibits neurodevelopmental deficits, which manifests as limitations in ‘intellectual functioning’ and ‘adaptive behavior’. ‘Fragile X syndrome’ is the common genetic cause of ID. Therefore in this in-silico research, the protein ‘mGluR5’ was targeted for the therapy of ID, in Fragile X Syndrome. In Fragile X syndrome, due to mutation in FMR1 gene, there’s lack of FMRP (Fragile X Mental Retardation Protein), resulting in unimpeded activity of ‘mGluR5’, which leads to aberrant dendritic development with mis-signalling. This results in ID, autism and psychopathology. An attempt towards overcoming this problem of ID, in Fragile X syndrome, in this research, ‘mGluR5’ was targeted against 19 different phytochemicals, collected from IMPPAT 2.0 database. 3D-structure of ‘mGluR5’ was obtained from RCSB-PDB, then the phytochemicals were docked against ‘mGluR5’ using CB-Dock.

AYUSHI JI
AYUSHI JI

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AYUSHI JI. 2026. “. Global Journal of Medical Research - K: Interdisciplinary GJMR-K Volume 26 (GJMR Volume 26 Issue K1): .

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Crossref Journal DOI 10.17406/gjmra

Print ISSN 0975-5888

e-ISSN 2249-4618

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In-silico Analysis – Phytochemicals against ‘mGluR5’ for Therapeutic Intenvention in the Intellect, in Fragile X Syndrome

AYUSHI JI
AYUSHI JI

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