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Microwave-assisted synthesis of hybrid PABA-1,3,5-triazine derivatives as an antimalarial agent.
Kashyap, Ankita; Choudhury, Ayesha A K; Saha, Ashmita; Adhikari, Nayana; Ghosh, Surajit K; Shakya, Anshul; Patgiri, Saurav J; Bhattacharyya, Dibya R; Singh, Udaya P; Bhat, Hans R.
Afiliación
  • Kashyap A; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
  • Choudhury AAK; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
  • Saha A; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
  • Adhikari N; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
  • Ghosh SK; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
  • Shakya A; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
  • Patgiri SJ; Regional Medical Research Centre, Indian Council of Medical Research (ICMR), Dibrugarh, Assam, India.
  • Bhattacharyya DR; Regional Medical Research Centre, Indian Council of Medical Research (ICMR), Dibrugarh, Assam, India.
  • Singh UP; Drug Design and Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture, Technology & Sciences, Allahabad, Uttar Pradesh, India.
  • Bhat HR; Department of Pharmaceutical Sciences, Dibrugarh University, Dibrugarh, Assam, India.
J Biochem Mol Toxicol ; 35(9): e22860, 2021 Sep.
Article en En | MEDLINE | ID: mdl-34313355
The present manuscript deals with the development of novel p-aminobenzoic acid (PABA) associated 1,3,5-triazine derivatives as antimalarial agents. The molecules were developed via microwave-assisted synthesis and structures of compounds were ascertained via numerous analytical and spectroscopic techniques. The synthesized compounds were also subjected to ADMET analysis. In a docking analysis, the title compounds showed high and diverse binding affinities towards wild (-162.45 to -369.38 kcal/mol) and quadruple mutant (-165.36 to -209.47 kcal/mol) Pf-DHFR-TS via interacting with Phe58, Arg59, Ser111, Ile112, Phe116. The in vitro antimalarial activity suggested that compounds 4e, 4b, and 4h showed IC50 ranging from 4.18 to 8.66 µg/ml against the chloroquine-sensitive (3D7) strain of Plasmodium falciparum. Moreover, compounds 4g, 4b, 4e, and 4c showed IC50 ranging from 8.12 to 12.09 µg/ml against chloroquine-resistant (Dd2) strain. In conclusion, our study demonstrated the development of hybrid PABA substituted 1,3,5-triazines as a novel class of Pf-DHFR inhibitor for antimalarial drug discovery.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Plasmodium falciparum / Triazinas / Microondas / Antimaláricos Límite: Humans Idioma: En Revista: J Biochem Mol Toxicol Asunto de la revista: BIOLOGIA MOLECULAR / BIOQUIMICA / TOXICOLOGIA Año: 2021 Tipo del documento: Article País de afiliación: India Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Plasmodium falciparum / Triazinas / Microondas / Antimaláricos Límite: Humans Idioma: En Revista: J Biochem Mol Toxicol Asunto de la revista: BIOLOGIA MOLECULAR / BIOQUIMICA / TOXICOLOGIA Año: 2021 Tipo del documento: Article País de afiliación: India Pais de publicación: Estados Unidos