Record Details

A comparative computational approach on the most deleterious missense variant in Connexin 43 protein and its potent inhibitor analysis

Online Publishing @ NISCAIR

View Archive Info
 
 
Field Value
 
Authentication Code dc
 
Title Statement A comparative computational approach on the most deleterious missense variant in Connexin 43 protein and its potent inhibitor analysis
 
Added Entry - Uncontrolled Name Katturajan, Ramkumar
Medha, Tamma
Karra, Sakshi
R, Vidya
Evan Prince, Sabina
 
Uncontrolled Index Term Cx43; L214P; Virtual screening; Variant classification; Molecular docking
 
Summary, etc. Intercellular 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.
 
Publication, Distribution, Etc. Indian Journal of Biochemistry and Biophysics (IJBB)
2023-01-06 16:57:39
 
Electronic Location and Access application/pdf
http://op.niscair.res.in/index.php/IJBB/article/view/56987
 
Data Source Entry Indian Journal of Biochemistry and Biophysics (IJBB); IJBB Vol. 60 (1) [January 2023]
 
Language Note en