अमूर्त

Pharmacophore Structure Based Protein Modelling for Factor VIII via the Implication of Computational Tools.

Jahnvi Srivastava, Ved Kumar Mishra, Srinath Pandey, Chinmay Harsh, Prashant Ankur Jain

Pharmacology hypothesis development and testing have been pursued through computational tools. These methods encompasses quantitative structure-activity relationships, database management and data-mining, similarity search tools, homology models, machine learning pharmacophores, data mining, network analysis tools and data analysis tools that use a computer. By the implication of computational analysis tools such as network analysis & data analysis could be implemented in order to identify substitution perceived necessary for the malfunctioning protein. The discovery and optimization of novel molecules having affinity to a target can be dealt with the use of such computational (in-silico) methods. The pharmacodynamic & pharmacokinetic properties of drug administered could be identified based on ADME (absorption, distribution, metabolism and excretion) and toxicity attributes and also characterizing physiochemical features can be perceived through such tools. Blood coagulation process is influenced by Coagulation factor VIII, which is a protein. Its deficiency causes haemophilia A. Coagulation factor VIII substitution can serve for the treatment of haemophilia related bleeding disorders. Plasma-derived products have played an active role in finding substitutions for the deficient protein. The recent researches have been focussed upon the development of coagulation factor that has increased half-time or can efficiently overcome immunological response. The next step would be the procurement of recombinant coagulation factor VIII using cheap prokaryotic expression system. Thus lowering of production costs corroborated by curtail in the production time, influencing availability of product, and also eliminating of infection risks.