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.
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. At last, pharmacokinetics of selective phytochemicals were computed using pkCSM tool. The conclusion of this research, compared with ‘Fenobam (already reported against mGluR5)’ was, ‘beta-Bisabolene’ and ‘Cirsilineol’ have relatively more probability to be the partially validated drugs against ‘mGluR5’, as compared to ‘‘Platainoside-B’, ‘Orientin’ and other phytochemicals in the list. As, ‘beta-Bisabolene’ and ‘Cirsilineol’ not only gave the best docking results, but, also followed the Lipinski’s rule of 5. "However, different results may be observed in the in-vitro and in-vivo analysis of these phytochemicals."