A Synthetic Route Towards Spiro Indanone Fused Pyrano[2,3‐c]Chromene Derivatives via Oxa–Diels–Alder Reaction: Computational Investigation, Antibacterial Evaluation and Molecular Docking Studies as Potential DNA Gyrase Inhibitors DOI Open Access
Jasmine Panda,

Beli Brahma,

Sabita Nayak

et al.

Journal of Heterocyclic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 24, 2024

ABSTRACT A highly efficient method for the synthesis of 2′ H ‐spiro[indene‐2,3′‐pyrano[2,3‐ c ]chromene] derivatives 20(a–s) has been developed involving oxa–Diels–Alder reaction as key step under conventional conditions in good to excellent yields. The compounds were all characterized using 1 H, 13 C NMR, HRMS, and X‐ray crystallography. present study employs DFT validate pathway. In vitro antibacterial assay synthesized was evaluated against Gram‐negative Escherichia coli Gram‐positive Staphylococcus aureus bacterial strains. Compound 20e found be most potent molecule with ZI 19 mm MIC 16 μg mL −1 E. 14 32 S. . Additionally, demonstrated a strong inhibition DNA gyrase silico , binding affinity −9.3 − 9.0 kcal/mol respectively. Also, significant pharmacokinetic, physicochemical, drug‐like properties spirocyclic further corroborated by ADME investigations. Hence, these new series spiro indanone fused pyrano[2,3‐ ]chromene may druggable agents future.

Language: Английский

A Synthetic Route Towards Spiro Indanone Fused Pyrano[2,3‐c]Chromene Derivatives via Oxa–Diels–Alder Reaction: Computational Investigation, Antibacterial Evaluation and Molecular Docking Studies as Potential DNA Gyrase Inhibitors DOI Open Access
Jasmine Panda,

Beli Brahma,

Sabita Nayak

et al.

Journal of Heterocyclic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 24, 2024

ABSTRACT A highly efficient method for the synthesis of 2′ H ‐spiro[indene‐2,3′‐pyrano[2,3‐ c ]chromene] derivatives 20(a–s) has been developed involving oxa–Diels–Alder reaction as key step under conventional conditions in good to excellent yields. The compounds were all characterized using 1 H, 13 C NMR, HRMS, and X‐ray crystallography. present study employs DFT validate pathway. In vitro antibacterial assay synthesized was evaluated against Gram‐negative Escherichia coli Gram‐positive Staphylococcus aureus bacterial strains. Compound 20e found be most potent molecule with ZI 19 mm MIC 16 μg mL −1 E. 14 32 S. . Additionally, demonstrated a strong inhibition DNA gyrase silico , binding affinity −9.3 − 9.0 kcal/mol respectively. Also, significant pharmacokinetic, physicochemical, drug‐like properties spirocyclic further corroborated by ADME investigations. Hence, these new series spiro indanone fused pyrano[2,3‐ ]chromene may druggable agents future.

Language: Английский

Citations

2