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Pyridine- and Thiazole-Based Hydrazides with Promising Anti-inflammatory and Antimicrobial Activities along with Their In Silico Studies
ACS Omega ( IF 4.1 ) Pub Date : 2020-09-25 , DOI: 10.1021/acsomega.0c03386
Vinuta Kamat 1 , Rangappa Santosh 1 , Boja Poojary 1 , Suresh P. Nayak 1 , Banoth Karan Kumar 2 , Murugesan Sankaranarayanan 2 , Faheem 2 , Sheela Khanapure 3 , Delicia Avilla. Barretto 3 , Shyam K. Vootla 3
Affiliation  

A new class of compounds formed by the linkage of −C(O)–NH– with pyridine and thiazole moieties was designed, synthesized, and characterized by various spectral approaches. The newly characterized compounds were evaluated for their antimicrobial as well as anti-inflammatory properties. The in vitro anti-inflammatory activity of these compounds was evaluated by denaturation of the bovine serum albumin method and showed inhibition in the range of IC50 values—46.29–100.60 μg/mL. Among all the tested compounds, compound 5l has the highest IC50 value and compound 5g has the least IC50 value. On the other hand, antimicrobial results revealed that compound 5j showed the lowest MIC values and compound 5a has the highest MIC values. Furthermore, molecular docking of the active compounds demonstrated a better docking score and interacted well with the target protein. Physicochemical parameters of the titled compounds were found suitable in the reference range only. The in silico molecular docking study revealed their COX-inhibitory action. Compound 5j emerged as a significant bioactive molecule among the synthesized analogues.

中文翻译:

基于吡啶和噻唑的酰肼具有良好的抗炎和抗菌活性,并在计算机上进行研究

通过-C(O)-NH-与吡啶和噻唑基团的连接形成了一类新的化合物,并通过各种光谱方法对其进行了表征。对新鉴定的化合物的抗微生物和抗炎特性进行了评估。在体外,这些化合物的抗炎活性是用牛血清白蛋白的方法评价变性和表现为抑制在IC的范围50个值-46.29-100.60微克/毫升。在所有测试的化合物中,化合物5l的IC 50值最高,化合物5g的IC 50值最低。另一方面,抗菌结果表明化合物5jMIC最低,化合物5a MIC最高。此外,活性化合物的分子对接表现出更好的对接分数,并且与靶蛋白相互作用良好。发现标题化合物的理化参数仅在参考范围内合适。将在硅片分子对接研究揭示了COX-抑制作用。化合物5j在合成的类似物中成为重要的生物活性分子。
更新日期:2020-10-06
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