Pharmacophore Model Generation of HMG-CoA Reductase Inhibitors;

In the process of the rational screening on neuramidinase(NA)inhibitors of influenza virus,there were 4 stages:1)Prepared for drug-like compound database;2)Established 3D pharmacophore model of NA inhibitors and searched con-formations in the target compound database;3)Selected the compounds by the result of molecular docking and did post-docking analysis.

3D-QSAR and Pharmacophore Modeling of Growth Hormone Secretagogues;

Strategy of molecular drug design:pharmacophore and scaffold hopping;

Study of concerted mechanism between P-glycoprotein and cytochrome P4503A4 by 3D-pharmacophore modeling;

Overview of studies on the anti-tumour pharmacophore of traditional Chinese medicines;

Present paper elucidates the following aspects; evolution of chemical classes of insecticides that act on insect nAChRs, structure and function of nAChRs, structure - activity of nicotine analogs, the structure modified and selectivity of neonicotinoid insecticides, and the pharmacophore of neonicotinoids.

Functional fragments contain structural elements known as pharmacophores which generate the bioactivity of the drugs,while structural fragments assemble the functional fragments into a specific skeleton also crucial for the activity.

3D - database searching based on pharmacophore model of protox inhibitors;

3D-database searching based on ALS inhibitors' pharmacophore model;

Construction of pharmacophore model of PARP-1 inhibitor;

Construction of the pharmacophore model of acetylcholinesterase inhibitor;

Pharmacophore map (active conformation or alignment rules) for inhibitors of angiotensin converting enzyme (ACE) were defined by Constraints Search.

Based on the pharmacophore model of inhibiting terpenoids of GABA_A receptor of houseflies built by DISCOtech method,the inquiry structure for 3D database searching was built and then searched in 3D Traditional Chinese Medicines Database(TCMD)by 3DFS software.