14 articles for “New Drug Discovery”

Research ArticleOpen accessIn the abstractHydrophobic, Polar and Hydrogen Bonding Based Drug-Receptor Interaction of TetrahydroimidazobenzodiazepinonesV.K. Sahu, A.K.R. Khan, R.K. Singh, P.P. SinghAnti-HIV drug discovery has been increasingly focusing on HIV-1-RT (reverse transcriptase) as a potential therapeutic target. Tetrahydroimidazobenzodiazepinone (TIBO) belongs to non-nucleoside group of reverse transcriptase inhibitors (NNRTIs). A computational chemistry study has been performed on a series of tetrahydroimidazo-benzodiazepinones as HIV-1-NNRT inhibitors. Problem statement: In order to search out new drug of desired activity from the lead compounds, there was … …American Journal of Immunology, Vol. 4, Issue 3 · 30 Sep 2008 · 8,839 accessesView PDF Cite

Research ArticleOpen accessIn the abstractA Feasibility Study of Challenges and Opportunities in Computational Biology: A Malaysian PerspectiveR. J.A. Richard, N. SriraamThe term computational biology refers to the knowledge derived from a computer analysis of biological data that includes identification of genes in DNA sequence of different organisms, prediction of structural and functional mechanism of proteins, feature extraction and classification of genomics and proteomics. Computational biology is a rapidly developing branch of science and is highly interdisciplinary, using techniques and Concepts … …American Journal of Applied Sciences, Vol. 2, Issue 9 · 30 Sep 2005 · 6,931 accessesView PDF Cite

Research ArticleOpen accessAll words, across the recordDocking and Molecular Dynamics Simulations in Potential Drugs Discovery: An Application to Influenza Virus M2 ProteinMarine E. Bozdaganyan, Philipp S. Orekhov, Nicola L. Bragazzi et al.Molecular docking is a common method for searching new potential drugs. Improvement of the results of docking can be achieved by different ways-one of them is molecular dynamics simulations of protein-ligand complexes. As a model for our research we chose M2 membrane protein from influenza virus. M2 protein is a high selective tetrameric pH-gated proton channel. It was previously shown … …American Journal of Biochemistry and Biotechnology, Vol. 10, Issue 3 · 11 Nov 2014 · 8,674 accessesView PDF Cite

Research ArticleOpen accessAll words, across the recordIntrinsically Unstructured Proteins: Potential Targets for Drug DiscoveryPathan Salma, Chintan Chhatbar, Sriram SeshadriProblem statement: The function of a protein is dependent on its three-dimensional structure. However, numerous proteins lacking intrinsic globular 3D structure under physiological conditions had been recognized. These proteins are frequently involved in some of the most critical cellular control mechanisms and it appears that their rapid turnover, aided by their unstructured nature in the unbound state, provides a level … …American Journal of Infectious Diseases, Vol. 5, Issue 2 · 30 Jun 2009 · 7,579 accessesView PDF Cite