Abstract
Background: Thrombotic disease is still a major killer. Aspirin, Ticagrelor, Clopidogrel, etc. are the most widely used conventional antiplatelet drugs. The significant number of patients who are resistant to this drug shows a poor outcome.
Objective: Developing a new antiplatelet agent with a stable antiplatelet effect and minimal bleeding risk is required for a patient who is resistant to antiplatelet drugs.
Methods: Protein-ligand docking was performed using Autodock Vina 1.1.2 to study the interaction of 67LR with different Polyphenols.
Results: Among the 18 polyphenols, thearubigin has the highest binding affinity towards 67LR and gallic acid shows the lowest binding affinity. Among the 18 molecules, the top 4 molecules from the highest to lowest binding affinity range from-10.6 (thearubigin) to -6.5 (Epigallocatechin).
Conclusion: Polyphenols may inhibit platelet aggregation through 67 LR and can be an alternative treatment for Thrombotic Disease. Moreover, it will be interesting to know whether polyphenols interfere with the same pathways as aspirin and clopidogrel. Effective polyphenols could help prototype the compound development of novel antiplatelet agents.
Graphical Abstract
[http://dx.doi.org/10.1016/0021-9150(95)90076-4] [PMID: 8821468]
[http://dx.doi.org/10.5551/jat.19521] [PMID: 24201035]
[http://dx.doi.org/10.1055/s-0037-1613462] [PMID: 12719773]
[http://dx.doi.org/10.1016/j.jacc.2005.08.058] [PMID: 16386660]
[http://dx.doi.org/10.1016/j.ijcard.2008.06.044] [PMID: 18707772]
[http://dx.doi.org/10.2174/187152511797037619] [PMID: 21838667]
[http://dx.doi.org/10.3945/ajcn.111.016634] [PMID: 22218162]
[http://dx.doi.org/10.1093/ajcn/75.5.880] [PMID: 11976162]
[http://dx.doi.org/10.1111/j.1753-4887.2006.tb00194.x] [PMID: 16572598]
[http://dx.doi.org/10.1007/BF01965408] [PMID: 6182778]
[http://dx.doi.org/10.1021/np9904509] [PMID: 10924197]
[http://dx.doi.org/10.1016/j.thromres.2005.01.002 ] [PMID: 16038718]
[http://dx.doi.org/10.1111/j.1538-7836.2004.01067.x] [PMID: 15613018]
[http://dx.doi.org/10.1097/01.fjc.0000176727.67066.1c] [PMID: 16160595]
[http://dx.doi.org/10.1161/01.CIR.103.23.2792] [PMID: 11401934]
[http://dx.doi.org/10.1007/978-1-4615-2994-1_19] [PMID: 8209791]
[http://dx.doi.org/10.1021/jf040059f] [PMID: 15237945]
[PMID: 12584792]
[http://dx.doi.org/10.1039/c3fo60088b] [PMID: 24056410]
[http://dx.doi.org/10.1016/S0049-3848(99)00104-8] [PMID: 10588466]
[http://dx.doi.org/10.1038/s41598-021-97212-8] [PMID: 34480042]
[http://dx.doi.org/10.1038/nsmb743] [PMID: 15024383]
[http://dx.doi.org/10.1074/jbc.C700206200] [PMID: 18063583]
[http://dx.doi.org/10.1002/jcc.21334] [PMID: 19499576]
[http://dx.doi.org/10.1093/nar/gky473] [PMID: 29860391]
[http://dx.doi.org/10.1002/(SICI)1096-987X(19981115)19:14<1639:AID-JCC10>3.0.CO;2-B]
[http://dx.doi.org/10.1042/bj2740535]
[http://dx.doi.org/10.2174/138161209787846702] [PMID: 19355974]
[http://dx.doi.org/10.1161/CIRCULATIONAHA.112.000799] [PMID: 23797810]
[http://dx.doi.org/10.1016/j.lfs.2011.09.006] [PMID: 21978785]
[http://dx.doi.org/10.3390/cells9071670] [PMID: 32664509]
[http://dx.doi.org/10.1021/jf505531w] [PMID: 25732404]
[http://dx.doi.org/10.1371/journal.pone.0037942] [PMID: 22666419]
[http://dx.doi.org/10.1172/JCI119540] [PMID: 9218511]
[http://dx.doi.org/10.1080/09537100601078083] [PMID: 17497435]
[http://dx.doi.org/10.1002/mnfr.200900172] [PMID: 20058256]
[http://dx.doi.org/10.1007/BF00272755] [PMID: 24240415]
[http://dx.doi.org/10.1038/srep13824] [PMID: 26345207]
[http://dx.doi.org/10.1016/j.bmc.2004.11.055] [PMID: 15698796]
[http://dx.doi.org/10.1371/journal.pone.0090699] [PMID: 24598787]
[http://dx.doi.org/10.1097/MBC.0b013e3283570846] [PMID: 22885765]
[http://dx.doi.org/10.1016/0952-3278(93)90118-G] [PMID: 8321874]
[http://dx.doi.org/10.1079/BJN2003820] [PMID: 12720581]
[http://dx.doi.org/10.1155/2012/485262] [PMID: 23304202]
[http://dx.doi.org/10.3390/ijms21010146] [PMID: 31878290]
[http://dx.doi.org/10.1182/blood-2005-06-2406] [PMID: 16219796]