biostudies-literatureNikitina LEKazan Federal University Strategic Academic Leadership ProgramCouncil on grants of the President of the Russian FederationRussian Science Foundation24https://www.ebi.ac.uk/biostudies/studies/S-EPMC8773274biostudies-literatureUnknown9(1)Platelet aggregation causes various diseases and therefore challenges the development of novel antiaggregatory drugs. In this study, we report the possible mechanism of platelet aggregation suppression by newly synthesized myrtenol-derived monoterpenoids carrying different heteroatoms (sulphur, oxygen, or nitrogen). Despite all tested compounds suppressed the platelet aggregation in vitro, the most significant effect was observed for the S-containing compounds. The molecular docking confirmed the putative interaction of all tested compounds with the platelet's P2Y12 receptor suggesting that the anti-aggregation properties of monoterpenoids are implemented by blocking the P2Y12 function. The calculated binding force depended on heteroatom in monoterpenoids and significantly decreased with tBioengineering (Basel, Switzerland)Unraveling the Mechanism of Platelet Aggregation Suppression by Monoterpenoids.PMC8773274no number20-64-47014МК-197.2021.1.3Azizova ZRKayumov ARNikitina LEAntina EVFrolova LLKlochkov VVPavelyev RSKsenofontov AARakhmatullin IZOstolopovskaya OVBocharov PSTimerova AFKutchin AVKiselev SVBoichuk SVGalembikova ARKhelkhal MAAndriutsa NSGilfanov IRfalseUnraveling the Mechanism of Platelet Aggregation Suppression by Monoterpenoids.Platelet aggregation causes various diseases and therefore challenges the development of novel antiaggregatory drugs. In this study, we report the possible mechanism of platelet aggregation suppression by newly synthesized myrtenol-derived monoterpenoids carrying different heteroatoms (sulphur, oxygen, or nitrogen). Despite all tested compounds suppressed the platelet aggregation in vitro, the most significant effect was observed for the S-containing compounds. The molecular docking confirmed the putative interaction of all tested compounds with the platelet's P2Y12 receptor suggesting that the anti-aggregation properties of monoterpenoids are implemented by blocking the P2Y12 function. The calculated binding force depended on heteroatom in monoterpenoids and significantly decreased with t2022-01-01T00:00:00Z2022 Jan2025-04-21T17:34:46.929Z2022-02-11T16:08:00.937ZS-EPMC87732743504973310.3390/bioengineering9010024