Please use this identifier to cite or link to this item:
Full metadata record
DC FieldValueLanguage
dc.contributor.authorKatturajan, Ramkumar-
dc.contributor.authorMedha, Tamma-
dc.contributor.authorKarra, Sakshi-
dc.contributor.authorR, Vidya-
dc.contributor.authorPrince, Sabina Evan-
dc.identifier.issn0975-0959 (Online); 0301-1208 (Print)-
dc.description.abstractIntercellular communication between the cell plays an essential role in cell growth and cell formation, including migration, metabolism, and cell differentiation. Cell function and tissue homeostasis are maintained through gap junction intercellular communication (GJIC), thus regulating connexin hemichannels. Mis regulation of such connexin, especially connexin (Cx) 43, affects a comprehensive process, including cell differentiation, inflammation, and cell death. Mis regulation may be due to the missense variant in Cx43. Thus, we screened the complete set of mutations from public mutational databases and obtained 219 missense variants, which were then classified based on their pathogenicity, functional impact, stability, conservation, and physiochemical properties. Variant L214P was scrutinized to have the most deleterious, which was then modelled using the I-TASSER server and performed molecular docking analysis to screen potent inhibitors. The compound Kanamycin, Ginsenoside, and Astragaloside IV have better interactions with Cx43 mutant with a maximum of 5 hydrogen bonds. Ginsenoside is a compound that follows a Lipinski rule of five. Thus, the result obtained from this study suggests that Ginsenoside would be a better potent inhibitor for native and mutant Cx43.en_US
dc.publisherNIScPR-CSIR, Indiaen_US
dc.sourceIJBB Vol.60(01) [January 2023]en_US
dc.subjectVirtual screeningen_US
dc.subjectVariant classificationen_US
dc.subjectMolecular dockingen_US
dc.titleA comparative computational approach on the most deleterious missense variant in Connexin 43 protein and its potent inhibitor analysisen_US
Appears in Collections:IJBB Vol.60(01) [January 2023]

Files in This Item:
File Description SizeFormat 
IJBB 60(01) 7-25.pdf3.36 MBAdobe PDFView/Open

Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.