Dual-targeted hit identification using pharmacophore screening

Volynets, Galyna P.; Starosyla, Sergiy A.; Rybak, Mariia Yu; Bdzhola, Volodymyr G.; Kovalenko, Oksana; Vdovin, Vasyl; Yarmoluk, S. M.; Tukalo, M. A.

doi:10.1007/s10822-019-00245-5

Cited by 9 publications

(1 citation statement)

References 38 publications

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“…Finally, they achieved nine structures potentially active against more than 10 different targets, as scaffolds for future designs of selective inhibitors, although to date none of them have been assayed yet [87]. However, considering this approach, Volynets et al [88] identified a hit compound that efficiently inhibits in vitro the two enzymes leucyl-tRNA synthetase LeuRS and methionyl-tRNA synthetase MetRS, thus confirming the usefulness of in silico studies to develop multitargeting antitubercular agents [88].…”

Section: In Silico Approaches For Multitargeting Compounds Developmentmentioning

confidence: 97%

Multitargeting Compounds: A Promising Strategy to Overcome Multi-Drug Resistant Tuberculosis

2020

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Tuberculosis is still an urgent global health problem, mainly due to the spread of multi-drug resistant M. tuberculosis strains, which lead to the need of new more efficient drugs. A strategy to overcome the problem of the resistance insurgence could be the polypharmacology approach, to develop single molecules that act on different targets. Polypharmacology could have features that make it an approach more effective than the classical polypharmacy, in which different drugs with high affinity for one target are taken together. Firstly, for a compound that has multiple targets, the probability of development of resistance should be considerably reduced. Moreover, such compounds should have higher efficacy, and could show synergic effects. Lastly, the use of a single molecule should be conceivably associated with a lower risk of side effects, and problems of drug–drug interaction. Indeed, the multitargeting approach for the development of novel antitubercular drugs have gained great interest in recent years. This review article aims to provide an overview of the most recent and promising multitargeting antitubercular drug candidates.

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Section: In Silico Approaches For Multitargeting Compounds Developmentmentioning

confidence: 97%