Homology Modelingâ??A Modernised Fast Tool For Computational Structure Prediction

Drug development and drug discovery are time-consuming and involve many procedures, but several methods introduced modifies the previous making it more easy and simplified. Also, these methods produce more accuracy, and models are made in a short time and takes less expenditure in terms of both processing and verifying. For this, appropriate protein structures are selected and their interactions are studied, and based on it new models are made. This involves structural similarity which is one of the key features and their binding on to specific target sites which should also be considered. Based on this criteria model or mannequins are made and their action on specific sites is studied. Methods such as  X-ray crystallography and NMR are often used these are not accurate and models formed more complex and difficult to study.

The basic strategy behind the model building is the formation of macromolecule -ligand complexes and protein-ligand interactions which are very important and gives detailed  information for new drug development. Due to the absence of experimental data, model building on this concept  has been difficult and time-consuming therefore by using framed 3D structure of a homologous organic compound is one of the only reliable techniques to induce the structural information in today’s arena. Information of the 3D structures of proteins provides valuable insights into the molecular basis of their functions. The recent advances in similarity modeling, mainly in investigation and sequenceing with model structures, distant homologs, modeling of loops and side chains additions contributed to the consistent prediction of organic compound structure, that wasn't realizable even a few years past. But now the method of similarity modeling made this easier. Error occurred during study was checked and validated,again done in an accurate manner.

This review, therefore gives rough information on how similarity modeling is  done ,various steps involved and validation.Information about newer methods and advances are also mentioned. And finally concluded with applications and their importance in drug development. Henceforth homology modeling has been considered as one of the most used and advanced methodologies for the prediction of proteins,their alignment and creation of new models for drug development.

Author(s): Subin Mary Zachariah*, Arya Rajan, Krishnanjana S Nair,  Shivali Kamath

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