Pyrazolone-type compounds: synthesis andin silicoassessment of antiviral potential against key viral proteins of SARS-CoV-2

Abstract

Coronavirus outbreak is still a major public health concern.

Visible Light-Promoted Green and Sustainable Approach for One-Pot Synthesis of 4,4’-(Arylmethylene)bis(1H-pyrazol-5-ols), In Vitro Anticancer Activity, and Molecular Docking with Covid-19 Mpro

“…An artificial intelligence-driven study has identified ruxolitinib as a promising drug for COVID-19. 48 Other than ruxotinib, several pyrazole-containing moieties have been reported to show anticancer 49 and coronavirus inhibitory 50 effects. Considering these facts and the havoc like situation created by the COVID-19 pandemic throughout the world prompted us to check the theoretical effectiveness of synthesized compounds as drug toward COVID-19 treatment as well.…”

Pyrazolone-type compounds (part II): in vitro and in silico evaluation of antioxidant potential; structure–activity relationship

“…In our previous report, 44 twenty pyrazolone derivatives a-t bearing different ring C substitution were synthesised and characterised (Table 1). The crystal structure analysis of compound p revealed the differences between rings A and B, i.e., the existence of pyrazolone and pyrazole moiety.…”

“…The crystal structure analysis of compound p revealed the differences between rings A and B, i.e., the existence of pyrazolone and pyrazole moiety. 44 In this work, compounds a-t were subjected to in vitro antioxidant screening using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay (Table 2). This method was selected since it is noted as reliable for the prediction of the radical scavenging activity against reactive oxygen species present in the living cell.…”

“…In our previous work, we reported the synthetic route for twenty pyrazolone analogues and investigated their potential antiviral activity against the SARS-CoV-2 virus. 44 Generally, the biological investigations on these particular pyrazolone-type derivatives are scarce, i.e., the research is mainly focused on the development of novel synthetic procedures. [45][46][47][48][49][50][51][52] To our knowledge, only one paper reported in vitro studies related to these compounds.…”

De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition

“…37 Building upon these principles and the growing impact of organocatalysis in the pharmaceutical industry, [38][39][40][41][42] in this manuscript an effective synthetic strategy for the preparation of functionalised b-hydroxy-b-pyrazolone amides in high dr and er (up to >95 : 5 dr, >99 : 1 er) is described. Given that nitrogencontaining heterocycles are incorporated into an array of biologically relevant compounds, [43][44][45][46] and with pyrazole derivatives a prevalent heterocycle of widespread relevance, [47][48][49][50][51][52] the generation of catalytic enantioselective methods that would lead to chiral pyrazolone heterocycle derivatives was targeted. [53][54][55][56] The developed process combines an isothiourea-mediated highly enantioselective formal [2 + 2]-cycloaddition of C(1)-ammonium enolates to generate diastereoisomeric spirocyclic b-lactones, coupled with a subsequent substrate-controlled DyKAT type III process where the absolute conguration at C(3) within the blactone is labile and that at C(4) is xed (Fig.…”