Design, Synthesis, Computational Docking and Biological Evaluation of Novel 4-Chloro-1,3-Benzoxazole Derivatives as Anticancer Agents
نویسندگان
چکیده
ABSTRACT: An efficient, cost effective and ecologically safe method for the design of series novel 2-[(4-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N'-[phenylmethylidene] acetohydrazides 5(a-j) have been synthesized by fusing 2-[(4-chloro-1,3-benzoxazol-2-yl)sulfanyl] acetohydrazide with substituted aromatic aldehyde. The prepared compounds were characterized via LC-MS, IR, 1H NMR, 13C NMR C, H, N analysis technique. All evaluated biological potency, which includes antimicrobial, antifungal, antioxidant anticancer activities. 5a, 5b, 5d, 5e, 5g 5h showed appreciable MIC activity. Further, it was also noticed that prior mentioned showcased more than 70% cell viability. We performed molecular docking all examined their binding affinities to receptor 2A91 qualitatively elucidate data generated from modeling values obtained screening correlated.
منابع مشابه
Synthesis, Biological Evaluation and Docking Analysis of Some Novel Quinazolin Derivatives as Antitumor Agents
Different acid chlorides (2a-d) reacted with anthranilic acid to produce 2-substituted-3, 1-benzoxazin-4-one (3a-d) which was used as starting material to synthesize some condensed and non-condensed heterocyclic compounds by reaction with nitrogen nucleophiles e.g., hydrazine hydrate, and formamide. Some of the newly synthesized analogues were chosen to evaluate their cytotoxic activity against...
متن کاملSynthesis, Biological Evaluation and Docking Analysis of Some Novel Quinazolin Derivatives as Antitumor Agents
Different acid chlorides (2a-d) reacted with anthranilic acid to produce 2-substituted-3, 1-benzoxazin-4-one (3a-d) which was used as starting material to synthesize some condensed and non-condensed heterocyclic compounds by reaction with nitrogen nucleophiles e.g., hydrazine hydrate, and formamide. Some of the newly synthesized analogues were chosen to evaluate their cytotoxic activity against...
متن کاملMolecular docking studies on xanthohumol derivatives as novel anticancer agents
A set of Xanthohumol derivatives were selected and molecular docking studies of these compounds on thioredoxin reductase were conducted. Based on new structural patterns using in silico-screening study, new potent lead compounds were designed. The results due to validated docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, Val44 and Gly132 are the main a...
متن کاملNovel Approach Synthesis, Molecular Docking and Cytotoxic Activity Evaluation of N-phenyl-2,2-dichloroacetamide Derivatives as Anticancer Agents
Dichloroacetate (DCA) as a small, cheap and available anticancer agent, is a pyruvate mimetic compound that stimulates the activity of pyruvate dehydrogenase (PDH) enzyme through inhibition of pyruvate dehydrogenase kinases (PDHK1-4). DCA turns on programed cell death (apoptosis) which suppressed in tumor cells and therefore inhibits tumor growth. DCA also interferes with the glucose uses of ca...
متن کاملDesign, synthesis and biological evaluation of novel quinazoline derivatives as potential antitumor agents: molecular docking study.
Novel derivatives of quinazoline (1-27) have been synthesized and tested for their antitumor activity against three tumor cell lines among these cell lines the human breast carcinoma cell line (MCF-7) in which EGFR is highly expressed. All tested compounds showed potent and selective activity against breast cancer (MCF-7) with IC(50) range of 3.35-6.81 microg/ml. With regarding broad-spectrum a...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biosciences, Biotechnology Research Asia
سال: 2022
ISSN: ['0973-1245', '2456-2602']
DOI: https://doi.org/10.13005/bbra/3040