Multiple molecular targets mediated antioxidant activity, molecular docking, ADMET, QSAR and bioactivity studies of halo substituted urea derivatives of α-Methyl-l-DOPA

• Main Authors: Nagalakshmamma Vadabingi, Vijaya Kumar Reddy Avula, Grigory V. Zyryanov, Swetha Vallela, Jaya Shree Anireddy, Visweswara Rao Pasupuleti, Venkataswamy Mallepogu, Naga Raju Chamarthi, Venkata Chalapathi Ponne
• Format: Article
• Language: English
• Published: 2020
• Subjects: R Medicine (General); RA Public aspects of medicine
• Online Access: https://eprints.ums.edu.my/id/eprint/25931/1/Multiple%20molecular%20targets%20mediated%20antioxidant%20activity%2C%20molecular%20docking%2C%20ADMET%2C%20QSAR%20and%20bioactivity%20studies%20of%20halo%20substituted%20urea%20derivatives%20of%C2%A0%CE%B1-Methyl-l-DOPA.pdf; https://eprints.ums.edu.my/id/eprint/25931/; https://doi.org/10.1016/j.bioorg.2020.103708

A series of novel α-methyl-l-DOPA urea derivatives viz., 3-(3,4-dihydroxyphenyl)-2-methyl-2-(3-halo/trifluoromethyl substituted phenyl ureido)propanoic acids (6a-e) have been synthesized from the reaction of α-methyl-l-DOPA (3) with various aryl isocyanates (4a-e) by using triethylamine (5, TEA) as...