Chemical feature based pharmacophore models were generated for an angiotensin converting enzyme(ACE) inhibitory peptide using the Discovery Studio 2.0 pharmacophore modeling approach. The pharmacophore hypothesis selected has five features(one negative ionizable region,one hydrogen bond donor,one hydrogen bond...
Pharmacophore-based-drug-design网络基于药效团的药物设计网络释义 1. 基于药效团的药物设计 科学网&mda... ... Principles of drug metabolism( 药物代谢的原理). Pharmacophore-based drug design( 基于药效团的药物设计)…bbs.sciencenet.cn|基于6个网页©...
WANG Wei; SHEN ShengRong; FENG FengQin.Pharmacophore-based structure optimization of angiotensin converting enzyme inhibitory peptide.中国科学:化学英文版.2008.786-793Wang W, Shen SR, Feng FQ, He GQ, Wang ZL. Pharmacophore- based structure optimization of angiotensin converting enzyme inhibitory peptide...
Pharmacophore-based design and discovery of (-)-meptazinol carbamates as dual modulators of cholinesterase and amyloidogenesis. J. Enzym. Inhib. Med. Chem. 2017, 32, 659-671. [CrossRef] [PubMed]
This study was conducted to compare the efficiencies of two virtual screening approaches, pharmacophore-based virtual screening (PBVS) and docking-based virtual screening (DBVS) methods. Methods: All virtual screens were performed on two data sets of small molecules with both actives and decoys agai...
Pharmacophore fit and atom overlap scoring function created the ligand-based pharmacophore. The merged Pharmacophore type had 2 omitted features. Docking-assisted structural-based pharmacophore modeling. Compound 6 was used to build a structural-based pharmacophore model using molecular docking. This method...
Pharmacophore-based design,synthesis,and biological evaluation of novel 3-((3,4-dichlorophenyl)(4-substituted benzyl)amino)propanamides as cholesteryl ester transfer protein(CETP)inhibitors[J]. Dong-Mei Zhao,Wen-Yan Li,Yu-Fang Shi,Xu-Qiong Xiong,Shuai Song,Chen-Zhou Hao,Mao-Sheng Cheng,Jing-...
In view of such significance, a three-dimensional pharmacophore model has been developed using a training set of 36 indenoisoquinoline-based topoisomerase inhibitors. The validated best model consists of three chemical features: one hydrophobic, one positive ionizable, and one ring aromatic with good ...
Chang C, Ekins S, Bahadduri P, Swaan PW (2006) Pharmacophore-based discovery of ligands for drug transporters. Adv Drug Deliv Rev 58: 1431-1450.Chang, C.; Ekins, S.; Bahadduri, P.; Swaan, P. W. Pharmacophore- based discovery of ligands for drug transporters. AdV. Drug DeliVery ...
The strategies leading to successful pharmacophore-based VS are outlined, including how to enumerate a conformational database efficiently, how to select chemical features for a specific pharmacophore model, how to incorporate excluded volumes to enhance the geographical restrictions, and how to optimize ...