2‐(3‐Iodo‐4‐Methylphenyl)‐4‐(aryl)oxazol‐5(4H)‐one Analogs: Synthesis, Anticancer Screening, SAR, in silico Molecular Docking, and ADMET Studies DOI Open Access
Umang Patel, Parth Unjiya,

Vaishali Rathod

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(6)

Published: Feb. 1, 2025

Abstract In this study, ten analogues of 2‐(3‐iodo‐4‐methylphenyl)‐4‐(aryl)oxazol‐5(4H)‐one ( 3a‐j ) were synthesized using the Erlenmeyer reaction condition, achieving satisfactory yields 5‐oxazolone scaffold. The process involved coupling 3‐iodo‐4‐methylbenzoic acid with tert ‐butyl glycinate to form tert‐butyl (3‐iodo‐4‐methylbenzoyl) 1 ), followed by ester hydrolysis obtain glycine 2 ). Condensation compound various aromatic aldehydes yielded desired derivatives compounds characterized spectroscopic techniques. To evaluate their potential, anticancer activity was assessed against nine panels different cancer cell lines following National Cancer Institute (NCI US) protocol at a concentration 10 −5 M. Growth percentage (GP) and growth inhibition (PGI) calculated for each compound. Additionally, new subjected molecular docking studies explore interactions within active binding site 7JKZ 6YID target protein, aiming understand modes favourable compounds. Furthermore, ADMET predictions revealed that most displayed drug‐like properties minimal adverse effects toxicity. These results represent substantial progress in research offer promising potential future advancements.

Language: Английский

2‐(3‐Iodo‐4‐Methylphenyl)‐4‐(aryl)oxazol‐5(4H)‐one Analogs: Synthesis, Anticancer Screening, SAR, in silico Molecular Docking, and ADMET Studies DOI Open Access
Umang Patel, Parth Unjiya,

Vaishali Rathod

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(6)

Published: Feb. 1, 2025

Abstract In this study, ten analogues of 2‐(3‐iodo‐4‐methylphenyl)‐4‐(aryl)oxazol‐5(4H)‐one ( 3a‐j ) were synthesized using the Erlenmeyer reaction condition, achieving satisfactory yields 5‐oxazolone scaffold. The process involved coupling 3‐iodo‐4‐methylbenzoic acid with tert ‐butyl glycinate to form tert‐butyl (3‐iodo‐4‐methylbenzoyl) 1 ), followed by ester hydrolysis obtain glycine 2 ). Condensation compound various aromatic aldehydes yielded desired derivatives compounds characterized spectroscopic techniques. To evaluate their potential, anticancer activity was assessed against nine panels different cancer cell lines following National Cancer Institute (NCI US) protocol at a concentration 10 −5 M. Growth percentage (GP) and growth inhibition (PGI) calculated for each compound. Additionally, new subjected molecular docking studies explore interactions within active binding site 7JKZ 6YID target protein, aiming understand modes favourable compounds. Furthermore, ADMET predictions revealed that most displayed drug‐like properties minimal adverse effects toxicity. These results represent substantial progress in research offer promising potential future advancements.

Language: Английский

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