Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7803124 | European Journal of Medicinal Chemistry | 2011 | 8 Pages |
Abstract
⺠Four-featured ligand-based pharmacophore model using most active renin inhibitors. ⺠Eight-featured structure-based pharmacophore model based on active site residues. ⺠Two important water molecules were also included during model generation. ⺠Hits with better potential were identified to be used in renin inhibitor design. ⺠Further optimization of the identified hits will improve their binding.
Keywords
RMSDPDBADMETACERASHydrophobicAngiotensin-converting enzymeGenetic Optimization for Ligand Dockinghydrogen bond donorabsorption, distribution, metabolism, excretion and toxicityDiscovery StudioReninGoldDatabase screeningenrichment factorBlood pressureroot mean square deviationProtein Data BankMolecular dockingHydrogen bond acceptor
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Sundarapandian Thangapandian, Shalini John, Sugunadevi Sakkiah, Keun Woo Lee,