Table 3.
The most used docking programs in structure-based drug design.
| Name | Developed by | Incorporated into software package | Free for academia | Drug-design applications | Ref. |
|---|---|---|---|---|---|
| AutoDock | Scripps Research Institute† | - | Yes | Aldose reductase inhibitors Rac1 Inhibitors Trypanothione reductase inhibitors |
[109] [110] [111] |
| DOCK | University of California, San Francisco‡ | - | Yes | STAT3 dimerization inhibitors Death-associated protein kinase inhibitors Inhibitors of osteoclast formation and bone resorption |
[112] [113] [114] |
| FlexX | BioSolveIT GmbH | LeadIT | No | Inhibitors of penicillin binding protein Inhibitors of ATP-phosphoribosyl transferase Human histamine H4 receptor ligands |
[115] [116] [117] |
| FRED | OpenEye Scientific Software | OpenEye | Yes | Proteasome inhibitors Heat-shock protein 90 inhibitors |
[29] [118] |
| Glide | Schrödinger, Inc. | Schrödinger | No | Inhibitors of dengue virus methyltransferase FGFR1 kinase inhibitors HIV-1 integrase inhibitors |
[119] [120] [121] |
| GOLD | Cambridge Crystallographic Data Centre | - | No | Topoisomerase I inhibitors MNK1 inhibitors Met tyrosine kinase inhibitors |
[122] [123] [124] |
| ICM | Molsoft LLC. | Molsoft | No | TNF-α inhibitors Aryl hydrocarbon receptor ligands GTP competitive inhibitors |
[125] [126] [127] |
| Surflex-Dock | Tripos Inc. | SYBYL | No | Glycogen synthase kinase inhibitors Proteasome inhibitors HIV-1 reverse transcriptase inhibitors |
[128] [29] [129] |