Abstract
Drug repositioning is a method of using authorized drugs for other unusually complex
diseases. Compared to new drug development, this method is fast, low in cost, and effective.
Through the use of outstanding bioinformatics tools, such as computer-aided drug design
(CADD), computer strategies play a vital role in the re-transformation of drugs. The use of
CADD's special strategy for target-based drug reuse is the most promising method, and its realization
rate is high. In this review article, we have particularly focused on understanding the various
technologies of CADD and the use of computer-aided drug design for target-based drug reuse,
taking COVID-19 and cancer as examples. Finally, it is concluded that CADD technology is accelerating
the development of repurposed drugs due to its many advantages, and there are many
facts to prove that the new ligand-targeting strategy is a beneficial method and that it will gain
momentum with the development of technology.
Keywords:
Drug repositioning, computer-aided drug designing, CADD techniques, target-based drug repurposing, COVID-19, cancer.
Graphical Abstract
[38]
Khan, J.; Khan, S.; Attaullah, S.; Ali, I.; Khan, S.N. Aurora kinase-C-T191D is constitutively active mutant. BMC Cell Biol., 2012, 13, 1-9.
[41]
Berman, H.; Westbrook, M.; Feng, Z.; Gilliland, G. The protein data bank. Nucleic Acids Res., 2000, 28(1), 235-42.
[50]
Awasthi, M.; Singh, S.; Tiwari, S.; Pandey, V.P.; Dwivedi, U.N. Computational approaches for therapeutic application of natural products in Alzheimer’s disease; Comput Model Drugs Against Alzheimer’s Dis, 2018, pp. 483-511.
[79]
Subramanian, A.; Narayan, R.; Corsello, S.M.; Peck, D.D.; Natoli, T.E.; Lu, X.; Gould, J.; Davis, J.F.; Tubelli, A.A.; Asiedu, J.K.; Lahr, D.L.; Hirschman, J.E.; Liu, Z.; Donahue, M.; Julian, B.; Khan, M.; Wadden, D.; Smith, I.C.; Lam, D.; Liberzon, A.; Toder, C.; Bagul, M.; Orzechowski, M.; Enache, O.M.; Piccioni, F.; Johnson, S.A.; Lyons, N.J.; Berger, A.H.; Shamji, A.F.; Brooks, A.N.; Vrcic, A.; Flynn, C.; Rosains, J.; Takeda, D.Y.; Hu, R.; Davison, D.; Lamb, J.; Ardlie, K.; Hogstrom, L.; Greenside, P.; Gray, N.S.; Clemons, P.A.; Silver, S.; Wu, X.; Zhao, W.N.; Read-Button, W.; Wu, X.; Haggarty, S.J.; Ronco, L.V.; Boehm, J.S.; Schreiber, S.L.; Doench, J.G.; Bittker, J.A.; Root, D.E.; Wong, B.; Golub, T.R. A next generation connectivity map: L1000 platform and the first 1,000,000 profiles.
Cell, 2017,
171(6), 1437-1452.e17.
[
http://dx.doi.org/10.1016/j.cell.2017.10.049] [PMID:
29195078]
[86]
Corona virus SARS-CoV-2 disease COVID-19: infection, prevention and clinical advances of the prospective chemical drug therapeutics. Chem. Biol. Lett., 2020, 7, 63-72.