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

[ Vol. 14 , Issue. 9 ]

Author(s):

Geraldene Munsamy and Mahmoud E. S. Soliman   Pages 1099 - 1111 ( 13 )

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.

Keywords:

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

Affiliation:

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

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