In silico Approach for Anti-Thrombosis Drug Discovery: P2Y₁R Structure-Based TCMs Screening.

ABSTRACT: Cardiovascular diseases (CVDs), including thrombosis, which is induced by platelet aggregation, are the leading cause of mortality worldwide. The P2Y₁ receptor (P2Y₁R) facilitates platelet aggregation and is thus an important potential anti-thrombotic drug target. The P2Y₁R protein structure contains a binding site for receptor antagonist MRS2500 within its seven-transmembrane bundle, which also provides suitable pockets for numerous other ligands to act as nucleotide antagonists of P2Y₁R. The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) comprises 499 Chinese Pharmacopoeia-registered herbs and the structure information for 29,384 ingredients. In silico docking of these compounds into the P2Y

SUBMITTER: Yi F 

PROVIDER: S-EPMC5220089 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature