Abstract：
: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.
journal_name
J Adv Resjournal_title
Journal of advanced researchauthors
Gandhi T,Melge AR,Gopi Mohan Cdoi
10.1016/j.jare.2016.09.004subject
Has Abstractpub_date
2016-11-01 00:00:00pages
931-944issue
6eissn
2090-1232issn
2090-1224pii
S2090-1232(16)30072-8journal_volume
7pub_type
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