Title:	Insilico analysis of epitope-based vaccine design against the systemic lupus erythematous: Combinatorial biophysics and bioinformatics studies
DNr:	SNIC 2022/22-720
Project Type:	SNIC Small Compute
Principal Investigator:	Shailesh Samal <shailesh.samal@ki.se>
Affiliation:	Karolinska Institutet
Duration:	2022-08-08 – 2023-09-01
Classification:	10203
Homepage:	https://staff.ki.se/people/shailesh-samal
Keywords:

Abstract

Antibodies against phosphorylcholine (anti-PC) are implicated as protection markers in systemic lupus erythematosus, atherosclerosis, cardiovascular disease (CVD), and other chronic inflammatory conditions. To elucidate the mechanism of affinity and binding of PC to anti-PC clones, molecular modeling approaches, e.g., molecular docking and molecular dynamics simulations studies, help understand the functional profile of individual anti-PCs and their intrinsic atomistic interactions with PC. We thus will investigate the information about metabolic pathways, crystal structures, binding to proteins and other compounds, and drug targets' relationships by using these methods.