Homology Modeling in Drug Discovery-an Update on the Last Decade

Title:Homology Modeling in Drug Discovery-an Update on the Last Decade

Volume: 14 Issue: 9

Author(s): Geraldene Munsamy and Mahmoud E. S. Soliman*

Affiliation:

• Molecular Modelling and Drug Design Research Group, School of Health Sciences, University of KwaZulu-Natal, Westville, Durban 4000,south africa

Keywords: Homology modeling, drug discovery, target sequence, protein-drug interaction, three-dimensional (3D) structure, protein.

Abstract: Background: The continual evolution of the world is closely chaperoned by the emergence of deadly diseases, which presents itself at every turn thus determining the 3D structure of a protein drug target plays a crucial factor in the process of effective drug design and discovery.

Methods: The 3D structure of a protein is an essential component that must be considered when establishing the functional domain of a protein, enabling the structural dynamic interactions with specified ligands and proteins to be studied and understood on a molecular level. Integrating the application of homology modeling which is also regarded as comparative modeling, may enable the provision of low-resolution 3D protein structures with enhanced accuracy made viable by a costeffective protocol.

Results: The application of homology modeling has already impacted many fields of research, which is presented in this review and continues to aid all of spheres of science and medical research, such as molecular biologists and pharmaceutical scientists with considerable insight regarding the spatial conformation of important residues within the protein structure in addition to providing a template for the design of new innovative drugs with enhanced specificity and effectivity.

Conclusion: This review provides a conclusive route map of the process of homology modeling that can be followed, limitations associated with the application of homology modeling and potential solutions. This review incorporates various tools that can be utilised. Highlighting the features of each tool enabling the construction of the most accurate model, that may aid in next generation drug discovery.

Cite this article as:

Munsamy Geraldene and Soliman E. S. Mahmoud*, Homology Modeling in Drug Discovery-an Update on the Last Decade, Letters in Drug Design & Discovery 2017; 14 (9) . https://dx.doi.org/10.2174/1570180814666170110122027

DOI https://dx.doi.org/10.2174/1570180814666170110122027	Print ISSN 1570-1808
Publisher Name Bentham Science Publisher	Online ISSN 1875-628X