113 molecules predicted as SARS active interact with different voltage-gated calcium channels (VGCC). All SARS active molecules have been classified in clusters attending to their structural similarity. Graphs summarize all molecule-protein interactions for the VGCCs module obtained by interactions-based segmentation plus any other interaction with other proteins recorded in th ChEMBL DB in order to discriminate most VGCC-specific molecular clusters.
ChEMBL molecule registry number (molregnos) labels have been removed in the networks to facilitate visualization of interactions. Only known drugs and protein names remain.
In this tab, we show interactions of most VGCC-specific clusters.
ClID_3067, ClID_2227 and ClID_6999 hit mainly L-type VGCCs (CACNA1C, CACNA1D, CACNA1F and CACNA1S), ClID_2227 being restricted to CACNA1S. ClID_2926 and ClID_5348 show preference for T-type VGCCs (CACNA1G, CACNA1H, CACNA1I). ClID_5088 and ClID_2240 inhibit N-type VAGCC (CACNA1B). ClID_933 and ClID_5060 impact less selectively on differentVGCCs.
See compound structures of most voltage-gated calcium channels specific clusters
Additional molecular clusters hit on VGCCs with lower specificity.
Let’s examine the structures of the rest of voltage-gated calcium channel clusters.
