Abstract
A new series of 1,3,4-oxadiazoles derivatives was synthesized, characterized, and evaluated for their in vitro and in vivo anti-thrombotic activity. Compounds (3a–3i) exhibited significant clot lysis with respect to reference drug streptokinase (30,000 IU), and enhanced clotting time (CT) values (130–342 s) than heparin (110 s). High affinity towards 1NFY with greater docking score was observed for the compounds (3a, 3i, 3e, 3d, and 3h) than the control ligand RPR200095. In addition, impressive inhibitory potential against factor Xa (F-Xa) was observed with higher docking scores (5612–6270) with Atomic Contact Energy (ACE) values (−189.68 to −352.28 kcal/mol) than the control ligand RPR200095 (Docking score 5192; ACE −197.81 kcal/mol). In vitro, in vivo, and in silico results proposed that these newly synthesized compounds might be used as anticoagulant agents.
Highlights
Nowadays cardiovascular diseases (CD) like coronary heart disease (CHD), atherosclerosis, hypertension, and acute myocardial infarction are the main causes of death in humans
The carboxamide group is present in many factor Xa (F-Xa) inhibitor agents; a set of novel compounds 5-[2-(4-chlorophenoxy)propan-2-yl]-1,3,4-oxadiazol-2-thiol derivatives (3a–3i) were synthesized and characterized to confirm their structures, and were determined to be ameliorative with regards to in vitro, in vivo, and in silico efficacy against thrombosis
The newly synthesized 1,3,4-oxadiazole derivatives depicted impressive in vitro antithrombotic effects compared with Oxadiazole (1)
Summary
Nowadays cardiovascular diseases (CD) like coronary heart disease (CHD), atherosclerosis, hypertension, and acute myocardial infarction are the main causes of death in humans. Thrombosis is one of the frequently cause of CD [1]. Almost 20 million people are being affected by thrombotic events worldwide every year. Agents that enhance the fibrinolytic activity and inhibit thrombus formation are important for the treatment and prevention of cerebrovascular and CD [2]. Thrombin (EC.3.4.21.5) is activated and subsequently fibrinogen starts forming fibrin which clots the blood after injury or trauma. Accumulation of fibrin in blood vessels increases thrombosis resulting in various cardiovascular diseases (CVDs) and myocardial infarction [3]
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