Virtual Screening of Gold Standard Anticoagulants Against Factor Xa (FXa) in the Human Coagulation Cascade – A Chemical and Multidisciplinary View
摘要
Hemostasis mainly protects the preservation of blood flow and prevents bleeding by forming a platelet buffer, supported by insoluble fibrin polymer, to form a stable clot. The coagulation cascade model scattering because it is a consecutive chain of reactions, activating the precursors by activating agents. Factor Xa (FXa), the point of convergence, is an essential pharmacological target in designing and obtaining new inhibitors. These new anticoagulant compounds are generally based on pharmacophores, as substances derived from the structure of the gold standard that already have their function and action well defined and proven by several experimental tests. With this background, it is desired to corroborate that commercial compounds have a similar function, verifying it by the molecular docking method. In this way, it generates synergy with engineering knowledge and proposes inspiring future technological applications based on studies of theoretical-computational chemistry.