Functional Annotation and Molecular Characterization of a Hypothetical Protein From <i>Mycobacterium leprae</i> Through <i>In Silico</i> Approaches: A Potential Therapeutic Target

Objective: . Methods: tools were utilized to make predictions regarding the structure and function of this protein. To identify homologous proteins, the BLASTp program was used to search for sequence similarity across the available biological databases. Additionally, using the proper bioinformatics methods, a number of properties were determined, including physicochemical characteristics, subcellular localization, phylogenetic analysis, functional annotation, pathway analysis, protein-protein interaction, secondary and tertiary structure determination, active site detection, quality assessment analysis, molecular docking, pharmacokinetic and toxicity profiling, and further molecular dynamics simulations. Results: ADMET analysis indicated that the selected compound has favorable bioavailability, drug-likeness, and safety. The stability of these complexes was verified by molecular dynamics simulations, which suggests they have therapeutic potential. Conclusion: methods in predicting the biological functions of HP and generating hypotheses for potential therapeutic targets.