Oxy-haemoglobin protein engineering: An automated design for hotspots stability, site-specific mutations and smart libraries by using HotSpot Wizard 2.0 software

Partha Talukdar, Soumendra Nath Talapatra

Abstract


Oxy-haemoglobin is an important metallo-protein, which helps in oxygen binding and transporting to the tissues. The objective of the present study was to detect hot spots and design of smart libraries for engineering protein stability, substrate specificity, tunnels and cavities as well as suitable mutability position of oxy-haemoglobin protein by using a software, HotSpot Wizard, version 2.0., is a free online software. The prediction results were obtained in output interface for functional hot spots, stability hot spots (structural flexibility), correlated hot spots and stability hot spots (sequence consensus). In conclusion, pocket identification and mutability prediction of oxy-haemoglobin can lead to detect structural alternation mainly in disease diagnosis and space for ligand binding pocket in new drug development for disease therapy. This computational prediction is suggesting to compare with experimental hotspots for oxy-haemoglobin in relation to therapeutic efficacies and druggability assessment

. Keywords: oxyhaemoglobin; metallo-protein; protein engineering; HotSpot Wizard; computational biology; druggability

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DOI: https://doi.org/10.26483/ijarcs.v8i1.2890

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