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Synthesis, In Silico Study and Antiurease Potential of Imine Derivatives

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Abstract

In search of potent urease inhibitors, we have biologically evaluated our synthesized imine derivatives against jack bean urease. In vitro assay results showed that compound 3f with IC50 value of 16.50 ± 0.20 µM can be considered as the most potent urease inhibitor, whereas compounds 3a (IC50 = 23.10 ± 0.11 µM) and 3n (IC50 = 23.34 ± 0.21 µM) were second and third most potent inhibitors, respectively. In silico study revealed that all compounds have good penetration across BBB and HIA; however, AMES toxicity and carcinogenic profiles of more than half of the compounds were not satisfactory. Leading compound 3f was predicted to have very less penetration across BBB, whereas pharmacokinetic profile of compound 3l was better than all other compounds with no toxicity and carcinogenicity. The synthesized compounds can be used as structural foundation for the preparation of new potent urease inhibitors.

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Acknowledgments

Authors of this paper are thankful to Higher Education Commission (HEC) of Pakistan for financial support. We are also thankful to Prof. Dr. Muhammad Nawaz Tahir, University of Sargodha, for XRD analysis and Dr. Muhammad Naeem, University of Sargodha, Pakistan, for biological activity study.

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Authors and Affiliations

  1. Department of Chemistry, University of Sargodha, Sargodha, Pakistan

    Muhammad Sarfraz, Shahbaz Ahmad & Muhammad Ilyas Tariq

  2. Department of Pharmacy, University of Sargodha, Sargodha, Pakistan

    Muhammad Naeem Qaisar

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  1. Muhammad Sarfraz
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  2. Shahbaz Ahmad
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  3. Muhammad Ilyas Tariq
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  4. Muhammad Naeem Qaisar
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Correspondence to Muhammad Sarfraz.

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Sarfraz, M., Ahmad, S., Tariq, M.I. et al. Synthesis, In Silico Study and Antiurease Potential of Imine Derivatives. Iran J Sci Technol Trans Sci 43, 1513–1521 (2019). https://doi.org/10.1007/s40995-018-0603-z

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  • DOI: https://doi.org/10.1007/s40995-018-0603-z

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