LPIIFD: A NOVEL IN SILICO METHODOLOGY FOR ANTITUBERCULAR DRUG-TARGET SEARCH
G. Girijasankar, Bhavani Boddeda, S Kotaiah, A. Vasudeva Rao · Indo American Journal of Pharmaceutical Research · 2014
Article history In the existing scenario of discovery and development there is an overabundance of diseases with more-complex pathological mechanisms, for which the classic target, one drug pattern has partially or completely unsuccessful. In these circumstances, drugs acting on multiple targets could offer superior efficacy profiles compared with single-target drugs. Hence in the current investigation as a part of our search for new computational methods, we could have established a novel In Silico method i.e. LPIIFD (Ligand Protein Inverse Induced Fit Docking) to study the inherent mechanism of action of a series of 1,3,5-triazine-Schiff base conjugates possessing potential antitubercular activity against Mycobacterium tuberculosis H37Rv. In the initial part of this LPIIFD study we provide an introduction to the role of computers in discovery and development. In the next part we reflect on the general introduction to tuberculosis and ten potential antitubercular targets followed by the description of study protocol. It is our aim to provide a brief manuscript on the results obtained in this present investigation.