Following major advances in the field of medicinal chemistry, novel drugs can now be designed systematically, instead of relying on old trial and error approaches. Current drug design strategies can be classified as being either ligand- or structure-based depending on the design process. In this paper, by describing the search for an ATP synthase inhibitor, we review two frequently used approac...

We have used pharmacophore hybridization technique of drug design and designed a pharmacophore model 2-methylphenylsemicarbazone which is having hydrogen acceptor site, hydrogen donor site, lipophilic site etc using ligandscout-2.02 software. A series of 2-methylphenyl-semicarbazone was synthesized and evaluated for their antipyretic activity using boiled cow milk induced pyrexia in rabbits. Co...

Three commercially available pharmacophore generation programs, Catalyst/HipHop, DISCO and GASP, were compared on their ability to generate known pharmacophores deduced from protein-ligand complexes extracted from the Protein Data Bank. Five different protein families were included Thrombin, Cyclin Dependent Kinase 2, Dihydrofolate Reductase, HIV Reverse Transcriptase and Thermolysin. Target ph...

Division of Applied Life Science(BK21 Program), Environmental Biotechnology National Core research Center (EB-NCRC), Plant Molecular Biology and Biotechnology Research Center(PMBBRC), Gyeongsang National University, Jinju 660 701, Korea. *E-mail: [email protected] †Department of Physics (FEAT), Annamalai University, Annamalai Nagar608 002, Tamilnadu, India Division of Quality of Life, Korea R...

Several methods have been developed and published over the past years to generate sets of diverse and pharmacologically relevant conformations which can be used within 3D pharmacophore search protocols to increase the number of meaningful hits of such experiments. This review gives some insights into the general challenges and problems in the area of 3D structure and conformation generation and...

Akinori Hirashima, Tomohiko Eiraku, Eiichi Kuwano, Eiji Taniguchi, and Morifusa Eto 1 Division of Bioresource and Bioenvironmental Sciences, Graduate School, Kyushu University, Fukuoka 812–8581, Japan 2 Graduate School of Bioresource and Bioenvironmental Sciences, Kyushu University, 6–10–1 Hakozaki, Higashi–ku, Fukuoka 812–8581, Japan 3 School of Agriculture, Kyushu Tokai University, Kumamoto 8...