Abstract
In this study, three type II phenolic acids (caffeic acid, p-hydroxycinnamic acid, and ferulic acid) were used to synthesize a total of 18 phenolic acid derivatives. With molecular docking for molecule design and target protein (factors) screening, in combination with the confirmation of target proteins (factors) by surface plasmon resonance, and the evaluation of haemostatic and anticoagulant activities with five blood assays (plasma recalcification time, prothrombin time, activated partial thromboplastin time, fibrinogen, and thrombin time), the data indicated that caffeic acid derivatives showed certain anticoagulant or procoagulant activities and that two other series contained compounds with the best anticoagulant activities. Using Materials Studio analysis, particular functional groups that affect anticoagulant or procoagulant activities were revealed, and these conclusions can guide the discovery of compounds with better activities.
Highlights
Phenolic acid compounds, which play essential roles in growth, development, or reproduction, are a group of non-flavonoid polyphenols that exist in most plant tissues as secondary metabolites [1].these phenolic compounds are important components of the human diet due to their potential antioxidant activities [1,2]
No matter how to design or evaluate medicines, all obtained compounds and precursors will be used in actual blood systems to evaluate their activities, and the activities of these compounds are a combination of their performance on every protein and factor in the coagulation pathway
Among the ferulic acid derivatives, one compound (Cd. 16) showed the best anticoagulant activity but combined with a protein or factor that differed from the target of Cds. 8 and 13
Summary
Phenolic acid compounds, which play essential roles in growth, development, or reproduction, are a group of non-flavonoid polyphenols that exist in most plant tissues as secondary metabolites [1] These phenolic compounds are important components of the human diet due to their potential antioxidant activities [1,2]. With immense research on pharmacological activity, phenolic acid compounds have shown many bioactivities, including familiar antioxidant [3,4,5], antibacterial [6,7], and anti-inflammatory [8,9] activities, and haemostatic [10,11], anticancer [12,13], and antiviral [14,15] activities. According to our previous research results, phenolic acid compounds separated from Blumea riparia DC. have good haemostatic and anticoagulant activities and could be precursors to developing new haemostatic and anticoagulant drugs
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