Design, Synthesis, and Biological Evaluation of Densely Substituted Dihydropyrano[2,3-c]pyrazoles via a Taurine-Catalyzed Green Multicomponent Approach.
Ghanshyam MaliBadrodin A ShaikhShivani GargAkhilesh KumarSudipta BhattacharyyaRohan D ErandeAsha V ChatePublished in: ACS omega (2021)
An efficient taurine-catalyzed green multicomponent approach has been described for the first time to synthesize densely substituted therapeutic core dihydropyrano[2,3-c]pyrazoles. Applications of the developed synthetic strategies and technologies revealed the synthesis of a series of newly designed 1,4-dihydropyrano[2,3-c]pyrazoles containing isonicotinamide, spirooxindole, and indole moieties. Detailed in silico analysis of the synthesized analogues revealed their potential to bind wild-type and antibiotic-resistant variants of dihydrofolate reductase, a principal drug target enzyme for emerging antibiotic-resistant pathogenic Staphylococcus aureus strains. Hence, the synthesized dihydropyrano[2,3-c]pyrazole derivatives presented herein hold immense promise to develop future antistaphylococcal therapeutic agents.
Keyphrases
- molecular docking
- wild type
- staphylococcus aureus
- molecular dynamics simulations
- room temperature
- single cell
- escherichia coli
- copy number
- current status
- emergency department
- big data
- pseudomonas aeruginosa
- risk assessment
- gene expression
- cystic fibrosis
- human health
- genome wide
- ionic liquid
- drug induced
- electronic health record
- deep learning