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 4.10 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 t-type ccbs. further,the model can be used for virtual screening of several small molecule databases. © 2016