Discovery and functional evaluation of diverse novel human CB1 receptor ligands

作者：Foloppe Nicolas^*; Benwell Karen; Brooks Teresa D; Kennett Guy; Knight Antony R; Misra Anil; Monck Nathaniel J T

来源：Bioorganic & Medicinal Chemistry Letters, 2009, 19(15): 4183-4190.

DOI：10.1016/j.bmcl.2009.05.114

• Cannabinoids
• Drug design
• Obesity
• Pharmacophore
• Virtual screening

Ligand-based virtual screening with a 3D pharmacophore led to the discovery of 30 novel, diverse and drug-like ligands of the human cannabinoid receptor 1 (hCB(1)). The pharmacophore was validated with a hit rate of 16%, binding selectivity versus hCB(2), and expected functional profiles. The discovered compounds provide new tools for exploring cannabinoid pharmacology.

• 出版日期2009-8-1