Computational Approaches to Deciphering Binding Interactions among Tyrosinase and Urokinase-type Plasminogen Activator with Methimazole and Tranexamic Acid as Two Off-Label Antimelasmic Drugs

  title={Computational Approaches to Deciphering Binding Interactions among Tyrosinase and Urokinase-type Plasminogen Activator with Methimazole and Tranexamic Acid as Two Off-Label Antimelasmic Drugs},
  author={Isaac Karimi and Arezou Lari and Saeed Ivani and Maryam Haghkhah and Sara Ivani and Ommega Internationals},
Tyrosinase is rate-limiting enzyme for melanogenesis and urokinase-type plasminogen activator (uPA) plays an autocrine role in growth, differentiation and migration of keratinocyte involving in melanogenesis. Molecular dynamics simulations were performed to investigate the interaction of uPA and tyrosinase with methimazole (MIM) and tranexamic acid (TA) as two off-label antimelasmic drugs. Our findings showed that TA has more negative binding affinity to tyrosinase (-14.58 Kcal/mol) than that… Expand
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