Synthesis and evaluation of urea and thiourea derivatives of lopinavir intermediate as potent antimicrobial, antioxidant agents and molecular docking studies against Staphopain

A series of new urea and thiourea derivatives of lopinavir intermediate 7a–k was designed and synthesized from lopinavir intermediate by treating various biopotent isocyanates and isothiocyanates in the presence of base, 1,4-dimethyl piperazine, and their biological activity was evaluated . The bio-...

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Bibliographic Details
Published in:Research on chemical intermediates 2017, Vol.43 (1), p.103-120
Main Authors: Sudhamani, H., Thaslim Basha, S. K., Adam, S., Madhusudhana, S., Usha Rani, A., Naga Raju, C.
Format: Article
Language:English
Subjects:
Antioxidants
Binding
Biological activity
Catalysis
Chemical synthesis
Chemistry
Chemistry and Materials Science
Inorganic Chemistry
Isocyanates
Molecular docking
Physical Chemistry
Protease
Thiourea derivatives
Ureas
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Summary:A series of new urea and thiourea derivatives of lopinavir intermediate 7a–k was designed and synthesized from lopinavir intermediate by treating various biopotent isocyanates and isothiocyanates in the presence of base, 1,4-dimethyl piperazine, and their biological activity was evaluated . The bio-assay revealed that the compounds exhibited moderate to good antimicrobial and antioxidant activities; particularly, 7k showed high activity against Staphylococcus aureus. Further, to know the binding interactions of the title products with protease enzyme, molecular studies were performed, which revealed that 7j exhibited high binding affinity towards the enzyme cysteine protease from Staphylococcus aureus. The results from in vitro studies revealed that they can be used as effective antimicrobial and antioxidant agents. Furthermore, molecular docking studies shown very good interaction. Graphical Abstract
ISSN:0922-6168
1568-5675
DOI:10.1007/s11164-016-2609-5