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3-(Methoxycarbonyl)thiophene Thiourea Derivatives as Potential Potent Bacterial Acetyl-CoA Carboxylase Inhibitors

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Abstract

Novel thiourea derivatives containing a 3-(methoxycarbonyl)thiophene pharmacophore were synthesized and tested for activity against Gram-positive (Salmonella typhi and Klebsiella pneumonia) and Gram-negative (Micrococcus luteus and Staphylococcus aureus) bacterial strains and fungal strains (Aspergillus niger and Fusarium oxysporum), as well as the binding energies of the synthesized compounds to the bacterial acetyl-CoA carboxylase were determined. The pharmacokinetic characteristics (ADMEt) of the synthesized compounds were calculated. According to both the in vitro and in silico results, the highest activity against all the strains and the highest binding efficiency to the bacterial acetyl-CoA carboxylase is characteristic methyl 2-[3-(4-ethylbenzyl)thioureido]thiophene-3-carboxylate. The calculated pharmacokinetic characteristics showed that all the synthesized compounds are safe to administer orally. It was concluded that the 3-(methoxycarbonyl)thiophene thiourea derivatives can act as potent inhibitors of bacterial acetyl-CoA carboxylase.

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Authors and Affiliations

  1. Department of Chemistry, GITAM University, Rushikonda, 530045, Visakhapatnam, India

    V. Vikram

  2. Department of Chemistry, Gayatri Vidya Parishad College for Degree and PG Courses (A), 530045, Visakhapatnam, India

    K. R. Amperayani & P. Umadevi

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  1. V. Vikram
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  2. K. R. Amperayani
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  3. P. Umadevi
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Vikram, V., Amperayani, K.R. & Umadevi, P. 3-(Methoxycarbonyl)thiophene Thiourea Derivatives as Potential Potent Bacterial Acetyl-CoA Carboxylase Inhibitors. Russ J Org Chem 57, 1336–1345 (2021). https://doi.org/10.1134/S1070428021080145

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