Bisindolylmethane Thiosemicarbazides as Potential Inhibitors of Urease: Synthesis and Molecular Modeling Studies

Publication date: Available online 21 November 2017
Source:Bioorganic & Medicinal Chemistry
Author(s): Muhammad Taha, Hayat Ullah, Laode Muhammad Ramadhan Al Muqarrabun, Naseem Khan, Fazal Rahim, Norizan Ahmat, Muhammad Tariq Javid, Muhammad Ali, Khalid Mohammed Khan
Bisindolylmethane thiosemicarbazides1-18were synthesized, characterized by ¹HNMR and ESI MS and evaluated for urease inhibitory potential. All analogs showedoutstandingurease inhibitory potentials with IC50 values ranging between 0.14 ± 0.01 to 18.50 ± 0.90 μM when compared with the standard inhibitor thiourea having IC50 value 21.25 ± 0.90 μM. Among the series, analog 9 (0.14 ± 0.01 μM) with di-chloro substitution on phenyl ring was identified as the most potent inhibitor of urease. The structure activity relationship has been also established on the basis of binding interactions of the active analogs. These binding interactions were identified bymolecular docking studies.

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