Synthesis and in silico biological activity evaluation of new N-substituted pyrazolo-oxazin-2-one systems

Bioorganic & Medicinal Chemistry
Nora BenaamaneAlexey A Lagunin

Abstract

Cyclisation of pyrazolo-beta-enaminones 3 readily obtained from 4-aceto acetyl pyrazol 2 with triphosgene led to the formation of N-substituted pyrazolo-1,3-oxazin-2-ones 4 in good yields. Estimation of pharmacotherapeutic potential, possible molecule mechanisms of action, toxic/side effects and interaction with drug-metabolizing enzymes were made for synthesised compounds on the basis of prediction of activity spectra for substances (PASS) prediction results and their analysis by PharmaExpert software. COX inhibition predicted by PASS was confirmed by experimental evaluation.

Citations

Jan 11, 2017·Ultrasonics Sonochemistry·Tamer S SalehHamad Z Alkhathlan
Jan 25, 2019·Current Topics in Medicinal Chemistry·Maia MerlaniMarina Sokovic
May 21, 2011·Organic & Biomolecular Chemistry·Victoria A VaillardSandra E Martín
Apr 5, 2016·Biological & Pharmaceutical Bulletin·Esra Tatarİlkay Küçükgüzel
Jan 5, 2021·European Journal of Medicinal Chemistry·Rameshwari VermaKanchugarakoppal S Rangappa
Sep 10, 2009·Chemical Reviews·Marcos A P MartinsPablo Machado

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