tailieunhanh - In silico identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach

Limited progress has been made in the quest to identify both selective and non-toxic T-type calcium channel blocking compounds. The present research work was directed toward slaking the same by identifying the selective three dimensional (3D) pharmacophore map for T-type calcium channel blockers (CCBs). Using HipHop module in the CATALYST software, both selective and non-selective HipHop pharmacophore maps for T-type CCBs were developed to identify its important common pharmacophoric features. HipHop pharmacophore map of the selective T-type CCBs contained six different chemical features, namely ring aromatic (R), positive ionizable (P), two hydrophobic aromatic (Y), hydrophobic aliphatic (Z), hydrogen bond acceptor (H) and hydrogen bond donor (D). However, non-selective T-type CCBs contain all the above mentioned features except ring aromatic (R). The present ligand-based pharmacophore mapping approach could thus be utilized in classifying selective vs. non-selective Ttype CCBs. Further, the model can be used for virtual screening of several small molecule databases. | In silico identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach

• Y khoa - Dược
• Calcium channel blocker
• Drug design
• In silico identification
• T type calcium channel blockers
• Pharmacophore mapping approach
• BMC Pharmacology and Toxicology
• Calcium channel blockers
• Calcium antagonist
• Narrow therapeutic index
• Danish Poisons Information Center
• trình bày báo cáo
• tài liệu báo cáo khoa học
• báo cáo y học
• nghiên cứu y học
• kiến thức y học
• 1 3 thiazole
• 5 lithium diisopropylamide
• Lithiated and dilithiated thiazole
• Diverse biological activity
• T type calcium channel blocker