Study on the Anticoagulant or Procoagulant Activities of Type II Phenolic Acid Derivatives

• Published in: Molecules (Basel, Switzerland) Vol. 22; no. 12; p. 2047
• Main Authors: Luo, Xuan, Du, Chuanrong, Cheng, Hui, Chen, Jian-Hua, Lin, Cuiwu
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 28.11.2017; MDPI
• Subjects: Acids; anticoagulant; Anticoagulants; Anticoagulants - chemical synthesis; Anticoagulants - chemistry; Anticoagulants - pharmacology; Blood Coagulation - drug effects; Blood Coagulation Tests; Caffeic acid; Coagulants - chemical synthesis; Coagulants - chemistry; Coagulants - pharmacology; Design factors; Ferulic acid; Fibrinogen; Functional groups; haemostatic; Humans; Hydroxybenzoates - chemical synthesis; Hydroxybenzoates - chemistry; Hydroxybenzoates - pharmacology; Hydroxycinnamic acid; Magnetic Resonance Spectroscopy; Models, Molecular; Molecular docking; Molecular Structure; phenolic acid; Phenolic acids; Phenols; procoagulant; Proteins; Prothrombin; Spectrometry, Mass, Electrospray Ionization; Surface plasmon resonance; Thrombin; Thromboplastin; Transition Temperature; haemostatic; anticoagulant; phenolic acid; procoagulant; surface plasmon resonance
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules22122047

In this study, three type II phenolic acids (caffeic acid, -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.