Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study

Document Type : Original Article

Authors

1 Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran

2 Department of Medical Mycology and Parasitology, School of Medicine, Shiraz University of Medical Sciences, Shiraz, Iran

3 Basic Researches in Infectious Diseases Center, Shiraz University of Medical Sciences, Shiraz, Iran

4 Department of Medicinal Chemistry, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran

10.30476/tips.2023.98698.1195

Abstract

Despite extensive research on antimicrobial drugs, efforts to find suitable alternatives to older drugs have not been very successful yet, due to microbial resistance. Heterocycles including azole and pyrimidine derivatives were used to design antimicrobial activity in this research, 12 novel pyrimidine-azole derivatives (3a-3l) that were previously synthesized were screened for their antibacterial and antifungal activities by using CLSI standard method. In this study, we used four species of bacteria, seven species of fungi, and five species of yeast. Molecular docking studies were also performed to investigate their binding mode and orientation toward lanosterol 14-α- demethylase (CYP51), as a plausible mechanism of azole antifungal compounds. The biological results showed that none of the compounds had antibacterial and antifungal effects compared to the control drugs. The molecular docking study showed that the compounds had a low binding affinity in the active site of the lanosterol 14-α- demethylase target, which confirmed the weak antifungal and antibacterial activities of these compounds.

Highlights

Leila Emami (Google Scholar)

Razieh Sabet (Google Scholar)

Keywords

References

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Trends in Pharmaceutical Sciences
Volume 9, Issue 3
September 2023
Pages 183-190

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