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
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.