Acetic acid‐driven one‐pot synthesis of 4,7‐dihydro‐[1,2,3]thiadiazolo[5,4‐b]pyridine‐6‐carboxamides and Pharmacological Evaluations DOI
Savan S. Bhalodiya, Mehul P. Parmar,

Chirag D. Patel

et al.

ChemMedChem, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 12, 2024

A diverse set of 4,7-dihydro-[1,2,3]thiadiazolo[5,4-b]pyridine-6-carboxamides 4(a-o) was synthesized via a one-pot reaction 5-amino-[1,2,3]thiadiazole, various aromatic aldehydes, and different acetoacetanilides, using glacial acetic acid. The resulting compounds were obtained in moderate to good yields. All the newly evaluated for their antimicrobial activity. Among them, compound 4 e demonstrated superior efficacy against Salinivibrio proteolyticus strain Gram-negative bacteria compared ciprofloxacin. Compound d exhibited highest potency fungal Candida albicans, surpassing amphotericin B. physicochemical characteristics assessed. According docking analysis, DHTDAPy shows higher binding affinity -7.2 kcal/mol cavity receptor. These findings illustrate safety, tolerability, bacterial infections.

Language: Английский

QSAR, Antimicrobial, and Antiproliferative Study of (R/S)-2-Thioxo-3,4-dihydropyrimidine-5-carboxanilides DOI Creative Commons
Mehul P. Parmar, Anwesha Das, Disha P. Vala

et al.

ACS Omega, Journal Year: 2025, Volume and Issue: 10(7), P. 7013 - 7026

Published: Feb. 10, 2025

Owing to the significant contribution of three-dimensional (3D) field-based QSAR toward hit optimization and accurately predicting activities small molecules, herein, 3D-QSAR, in vitro antimicrobial, molecular docking, pharmacophore modeling studies all isolated (R/S)-2-thioxo-DHPM-5-carboxanilides exhibiting antimicrobial activity were carried out. The screening process was performed using 46 compounds, best-scoring model with top statistical values considered for bacterial fungal targets Bacillus subtilis Candida albicans. As a result 3D-QSAR analysis, compound 4v-(S)- 4v-(R)-isomers found be more potent compared standard drugs tetracycline fluconazole, respectively. Furthermore, enantiomerically pure isomers 4q, 4d′, 4n, 4f′, 4v, 4q′, 4c, 4p′ than fluconazole inhibit growth against B. subtilis, Salinivibrio proteolyticus, C. albicans, Aspergillus niger, Molecular docking analysis shows that glide score −10.261 kcal/mol, 4v-(R)-isomer target albicans may 14-α demethylase fluconazole. compounds' antiproliferative results showed 4o′ exhibited GI50 between 8.8 34 μM six solid tumor cell lines. Following greater potential HeLa line, its kinetics study live imaging These outcomes highlight acceptance safety as well compounds effective antifungal agents.

Language: Английский

Citations

0
Oxidative Stress-Responsive 1 Kinase Catalytic Activity Promotes Triple Negative Breast Cancer Oncogenic Potential DOI Creative Commons

Azeza M. Fdel,

Loren Waters,

Ira Sharma

et al.

ACS Pharmacology & Translational Science, Journal Year: 2025, Volume and Issue: 8(3), P. 726 - 735

Published: Feb. 27, 2025

The protein kinase OSR1 has been highlighted as a biomarker for poor prognosis in breast cancer (BC) patients. To further decipher the mechanism underpinning this, we studied expression, phosphorylation status, and catalytic activity of across series BC cell lines. was found to be expressed various luminal triple negative (TNBC) lines studied, although it only constitutively active highly migratory TNBC line MDA-MB-231. Although this carries p53 mutations, our data indicated that constitutive MDA-MB-231 independent p53. Interestingly, inhibition had no significant impact on viability, but contribute its substantial migration invasion, significantly attenuated by WNK/OSR1 inhibitor WNK463. Analogously, overexpression poorly migrating MCF7 enhanced mobility. Collectively, results indicate pharmacological could promising novel strategy preventing oncogenic potential TNBC.

Language: Английский

Citations

0
One-pot three-component synthesis of 2,4-dimethoxy-5,8,9,10-tetrahydropyrimido[4,5-b]quinolinone derivatives along with in silico and in vitro investigation of their antimalarial activity DOI
Bhavin Patel,

Pratik Patel,

Nirajkumar V. Shah

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1321, P. 139779 - 139779

Published: Aug. 23, 2024

Language: Английский

Citations

0
Acetic acid‐driven one‐pot synthesis of 4,7‐dihydro‐[1,2,3]thiadiazolo[5,4‐b]pyridine‐6‐carboxamides and Pharmacological Evaluations DOI
Savan S. Bhalodiya, Mehul P. Parmar,

Chirag D. Patel

et al.

ChemMedChem, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 12, 2024

A diverse set of 4,7-dihydro-[1,2,3]thiadiazolo[5,4-b]pyridine-6-carboxamides 4(a-o) was synthesized via a one-pot reaction 5-amino-[1,2,3]thiadiazole, various aromatic aldehydes, and different acetoacetanilides, using glacial acetic acid. The resulting compounds were obtained in moderate to good yields. All the newly evaluated for their antimicrobial activity. Among them, compound 4 e demonstrated superior efficacy against Salinivibrio proteolyticus strain Gram-negative bacteria compared ciprofloxacin. Compound d exhibited highest potency fungal Candida albicans, surpassing amphotericin B. physicochemical characteristics assessed. According docking analysis, DHTDAPy shows higher binding affinity -7.2 kcal/mol cavity receptor. These findings illustrate safety, tolerability, bacterial infections.

Language: Английский

Citations

0