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Pagadala R, Kommidi DR, Kankala S, et al. Multicomponent one-pot synthesis of highly-functionalized pyrrole-3-carbonitriles in aqueous medium and their computational study. Org Biomol Chem. 2015;13(6):1800-6doi: 10.1039/c4ob02229g.
Pagadala, R., Kommidi, D. R., Kankala, S., Maddila, S., Singh, P., Moodley, B., Koorbanally, N. A., & Jonnalagadda, S. B. (2015). Multicomponent one-pot synthesis of highly-functionalized pyrrole-3-carbonitriles in aqueous medium and their computational study. Organic & biomolecular chemistry, 13(6), 1800-6. https://doi.org/10.1039/c4ob02229g
Pagadala, Ramakanth, et al. "Multicomponent one-pot synthesis of highly-functionalized pyrrole-3-carbonitriles in aqueous medium and their computational study." Organic & biomolecular chemistry vol. 13,6 (2015): 1800-6. doi: https://doi.org/10.1039/c4ob02229g
Pagadala R, Kommidi DR, Kankala S, Maddila S, Singh P, Moodley B, Koorbanally NA, Jonnalagadda SB. Multicomponent one-pot synthesis of highly-functionalized pyrrole-3-carbonitriles in aqueous medium and their computational study. Org Biomol Chem. 2015 Feb 14;13(6):1800-6. doi: 10.1039/c4ob02229g. PMID: 25503439.
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Org Biomol Chem. 2015 Feb 14;13(6):1800-6. doi: 10.1039/c4ob02229g.

Multicomponent one-pot synthesis of highly-functionalized pyrrole-3-carbonitriles in aqueous medium and their computational study.

Organic & biomolecular chemistry

Ramakanth Pagadala, Devendar Reddy Kommidi, Shravankumar Kankala, Suresh Maddila, Parvesh Singh, Brenda Moodley, N A Koorbanally, Sreekantha B Jonnalagadda

Affiliations

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

PMID: 25503439 DOI: 10.1039/c4ob02229g

Abstract

A one-pot green protocol involving four-components in aqueous medium is developed to synthesize highly-functionalized pyrroles in good yields. Two of the newly synthesized compounds were subjected to in silico analysis on the Pharm Mapper web-server and the human mitogen-activated protein kinase1 (MEK1) enzyme was identified as a potential target protein for these compounds. For target validation, MEK-1 inhibition was performed with two representative compounds (5g and 5h) using docking simulations. These functionalized pyrroles were also tested for their respective IC50 values on human cancer cell lines to evaluate their biocompatibility. Several of these functionalized pyrrole molecules were found to possess higher growth inhibition activity than standard doxorubicin and cisplatin.

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