Dynamics of small molecule-enzyme interactions: Novel benzenesulfonamides as multi-target agents endowed with inhibitory effects against some metabolic enzymes

Archives of Biochemistry and Biophysics, Год журнала: 2024, Номер 759, С. 110099 - 110099

Опубликована: Июль 14, 2024

Язык: Английский

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Design, synthesis of novel thiazole‐thiomorpholine derivatives and evaluation of their anticancer activity via in vitro and in silico studies

Archiv der Pharmazie, Год журнала: 2025, Номер 358(3)

Опубликована: Март 1, 2025

Abstract Continuous efforts are carried out to find new cancer treatments. Compounds including thiazole or thiomorpholine rings showed favorable biological activities for various diseases cancer. In this study, a series of 4‐(4‐{[2‐(4‐phenylthiazol‐2‐yl)hydrazono]methyl}phenyl)thiomorpholine derivatives were synthesized and tested in vitro their anticancer activity. Twelve compounds 4‐phenylthiazol single 4‐(2‐naphthyl)thiazole analyzed by 1 H‐nuclear magnetic resonance (NMR), 13 C‐NMR, high‐resolution mass spectrometry (HRMS). The cytotoxic effects the on A549 lung cell line L929 healthy line. Six ( 3a , 3b 3c, 3d 3e 3f ) better inhibitory activity against cells than reference drug cisplatin. Compound (4‐CH 3 phenyl derivative) was most potent with an IC 50 3.72 µM. evaluated all displayed values more 500 µM, indicating selectivity toward A549. Activity matrix metalloproteinase‐9 also result indicated %inhibition 68.02 52.77 3g 3j respectively. silico evaluation achieved via Density Functional Theory calculations molecular dynamic simulations results those tests.

Язык: Английский

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Design and synthesis of new benzothiazole-piperazine derivatives and in vitro and in silico investigation of their anticancer activity

Journal of Molecular Structure, Год журнала: 2024, Номер 1320, С. 139732 - 139732

Опубликована: Авг. 23, 2024

Язык: Английский

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Naphthoquinones and anthraquinones: Exploring their impact on acetylcholinesterase enzyme activity

Biotechnology and Applied Biochemistry, Год журнала: 2024, Номер 71(5), С. 1079 - 1093

Опубликована: Май 7, 2024

The identification of novel acetylcholinesterase inhibitors holds significant relevance in the treatment Alzheimer's disease (AD), prevailing form dementia. exploration alternative to conventional is steadily gaining prominence. Quinones, categorized as plant metabolites, represent a specific class compounds. In this study, inhibitory effects various naphthoquinone derivatives, along with anthraquinone and its on (AChE) enzyme were investigated for purpose. An vitro investigation was conducted examine these compounds order clarify possible mechanism inhibition interaction between chemicals. addition, an silico carried out understand conceivable inhibitor binding process enzyme's active site. acquired outcomes corroborated results. AChE found be effectively inhibited by both naphthoquinones anthraquinones, constant (K

Язык: Английский

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Research Design, Evaluation, and In Vitro Assessment of N'-(Thiophene-2-Carbonyl) Pyridine-4-Carbohydrazide as a Biological agent

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140310 - 140310

Опубликована: Окт. 1, 2024

Язык: Английский

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