In silico analysis of pathogen-host interactions at molecular level

This study explores critical aspects of SARS-CoV-2 and Strongyloides stercoralis, focusing on structural variations, drug discovery, diagnostic challenges, and therapeutic strategies. Initially, it examines the emergence of a recurrent insertion in the N-terminal domain of the SARS-CoV-2 spike glycoprotein, highlighting its implications for viral evolution and vaccine design. An interaction-based drug discovery screen elucidates the mechanisms of known SARS-CoV-2 inhibitors and identifies potential novel compound scaffolds, providing a foundation for future therapeutic developments. Additionally, the study addresses the reduced sensitivity of antigen tests for detecting Omicron SARS-CoV-2 infections through extensive real-life data analysis, underscoring the need for improved diagnostic methods. Building on these findings, the research integrates multi-disciplinary approaches to tackle ongoing challenges in infectious disease management. The recurrent insertion in the SARS-CoV-2 spike protein N-terminal domain is analyzed for its role in immune evasion and its potential as a target for novel antivirals. The interaction-based screening method bridges gaps between known SARS-CoV-2 inhibitors and prospective drug candidates, demonstrating the power of computational models in expediting drug discovery. The analysis of antigen test sensitivity in the context of Omicron variant infections highlights critical shortcomings in current diagnostic technologies and emphasizes the necessity for continuous adaptation of testing protocols. In parasitology, the detailed proteomic profiling of Strongyloides stercoralis infective larvae provides a valuable resource for identifying new molecular targets and understanding the parasite’s adaptive mechanisms. The exploration of GluCl receptor targeting illustrates the potential of drug repurposing pipeline, offering practical solutions to accelerate the availability of effective treatments for Strongyloides stercoralis infection. This integrated approach not only advances scientific knowledge but also proposes tangible strategies for enhancing disease control and improving patient outcomes.