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Synthesis, antimicrobial activity and molecular docking studies of pyrano[2,3-d]pyrimidine formimidate derivatives

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Abstract

A new series of ten poly-functionalized pyrano[2,3-d]pyrimidine formimidate derivatives were successfully synthesized. All the synthesized compounds were characterized by 1H NMR, 13C NMR, HRMS, and FT-IR spectral analysis. All the synthesized compounds were evaluated for their antimicrobial activity by using the well plate method and MIC by the broth micro dilution method against the strains of bacteria as well as fungus. Four compounds exhibited good to excellent antimicrobial activity. The theoretical binding mode of the target molecules was evaluated by docking studies, which revealed a new molecular scaffold for enhancing the antimicrobial activity of compounds.

Graphical Abstract

Studies on synthesis, characterization, antimicrobial activity, and molecular docking of novel pyrano[2,3-d]pyrimidine formimidate derivatives (10) are reported. Four of the compounds exhibited excellent activity.

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Acknowledgments

The authors are thankful to the School of Chemistry and Physics, University of KwaZulu-Natal, Durban, South Africa for the facilities and financial support.

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Authors and Affiliations

  1. School of Chemistry and Physics, University of KwaZulu-Natal, Westville Campus, Chiltern Hills, Durban, 4000, South Africa

    Kotaiah Yalagala, Suresh Maddila, Surjyakanta Rana, Surya Narayana Maddila & Sreekantha Babu Jonnalagadda

  2. Discipline of Pharmaceutical Sciences, University of KwaZulu-Natal, Westville Campus, Chiltern Hills, Durban, 4000, South Africa

    Sukesh Kalva & Adam Arnold Skelton

Authors
  1. Kotaiah Yalagala
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  2. Suresh Maddila
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  3. Surjyakanta Rana
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  4. Surya Narayana Maddila
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  5. Sukesh Kalva
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  7. Sreekantha Babu Jonnalagadda
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Correspondence to Sreekantha Babu Jonnalagadda.

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Yalagala, K., Maddila, S., Rana, S. et al. Synthesis, antimicrobial activity and molecular docking studies of pyrano[2,3-d]pyrimidine formimidate derivatives. Res Chem Intermed 42, 3763–3774 (2016). https://doi.org/10.1007/s11164-015-2243-7

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