Table 3.
In vitro, in vivo, and in silico targets for inhibiting JEV infection, targeting replication, host binding, autoimmunity, and cytokine generation, together with their active pocket residues and native ligands from crystal structures.
| S. No. | Name of Targets | PDB ID | Ligands | Amino Acid Residues of Active Sites | Resolution of Crystal Structures | References |
|---|---|---|---|---|---|---|
| 1 | CLEC5A | 2YHF | NA | - | 1.9 Å | [130] |
| 2 | GRP78 | 5F1X | ATP | Thr37, Thr38, Tyr39, Gly227, Gly228, Thr229, Glu293, Lys296, Ser300, Gly364, | 1.9 Å | [131] |
| 3 | TLR7 | 6LW1 | RIJUCCOLHSAZPO-GOTSBHOMSA-N | Asn265, Tyr264, Phe349, Glu352, Leu353, Gln354, Val355, Val381, Thr406, Phe408, Phe507, Ser530, Gln531 | 2.8 Å | [132] |
| 4 | D2R | 7DFP | DKGZKTPJOSAWFA-UHFFFAOYSA-N | Val91, Leu94, Val111, Asp114, Val115, Cys118, Cys182, Ile184, Trp386, Phe390, Thr412, Tyr416, | 3.1 Å | [133] |
| 5 | Src | 1FBZ | SPSGYTWOIGAABK-DQEYMECFSA-N | Arg12, Arg32, Glu35, Ser36, His58, Lys60 | 2.4 Å | [134] |
| 6 | Caveolin-1 | 7SC0 | NA | - | 3.4 Å | [135] |
| 7 | Capsid | 5OW2 | KRKNYBCHXYNGOX-UHFFFAOYSA-K | Pro43, Val44, | 1.98 Å | [136] |
| 8 | Envelop | 5MV1 | NA | - | 2.25 Å | [137] |
| 9 | NS1 | 5O36 | QAOWNCQODCNURD-UHFFFAOYSA-L | Arg347, Gln349 | 2.6 Å | [138] |
| 10 | NS3 | 2Z83 | NA | - | - | [139] |
| 11 | NS5(RdRp) | 4HDH | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | Arg460, Arg474, Asp668, Ser715, Arg734, Arg742, Ser799, Trp800, | 2.28 Å | [140] |
| 12 | NS3/NS4A | 5WX1 | NA | - | 2.35 Å | [140] |
| 13 | NS2b-NS3 | 4R8T | VEXZGXHMUGYJMC-UHFFFAOYSA-M | Gly151 | 2.133 Å | [141] |