Harnessing Homology Modeling for Comprehensive Health Care Solutions
DOI:
https://doi.org/10.52206/jsmc.2024.14.4.973Abstract
Background: Homology modeling is a versatile technique used across scientific disciplines and healthcare fields. It predicts 3D structure of a protein helps in drug design and understanding molecular interaction, disease mechanisms and designing personalized treatments.
Objective: To predict the 3D structure of the Salmonella typhi protein Clustered Regularly Interspaced Short Palindromic Repeats (3065) using homology modeling, enhancing understanding of protein functions, reproductive health issues, and microbial pathogenesis, and guiding the development of new drugs, vaccines, and treatments for infections.
Materials and Methods: Comprehensive Microbial Resource (CMR) is a bioinformatics tool for complete sequence retrieval. InterProScan for function analysis, Basic Local Alignment Tool (BLAST) for alignment, Modeler 9.10 for designing model, ProCheck was used to check stereochemical properties from Ramachandran Plot and ProSA program for energy estimation have been used for structural analysis of CRISPR associated proteins.
Results: Among 10 models, model 3 was selected as the best model. It consists of 10 alpha helices and 7 beta sheets. The chosen model exhibited the highest percentage of residues within the most favored regions. It has negative z score value (Z score -5.64) which shows that it is highly stable.
Conclusion: Homology modeling helps us to understand how proteins work, uncover the causes of reproductive health problems, and study how microbes cause diseases and interact with their hosts. This knowledge can help to develop drugs and vaccines and other new treatments for infections in future.
Keywords: Cystic fibrosis, Homology modeling, Modeler, Musculoskeletal, Polycystic ovary syndrome.
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