Synthesis, Antimicrobial Activity and 3D‐QSAR Study of Hybrid Oxazine Clubbed Pyridine Scaffolds

Desai, N. C.; Bhatt, Nayan; Joshi, Surbhi B.; Jadeja, Krunalsinh A.; Khedkar, Vijay M.

doi:10.1002/slct.201901391

Cited by 9 publications

(4 citation statements)

References 21 publications

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“…Various pyridine containing anti-inflammatory and antimicrobial agents are also reported in the literature. Researchers like Fan et al , 23 Bhila et al , 24 Desai et al , 25 Rani and Reddy, 26 and Rashdan et al ( 27 ) reported some antimicrobial agents. Laddha and Bhatnagar, 28 Kumar et al , 29 and Thirumurugan et al ( 30 ) reported some pyridine-based anti-inflammatory agents.…”

Section: Introductionmentioning

confidence: 99%

Pyridine- and Thiazole-Based Hydrazides with Promising Anti-inflammatory and Antimicrobial Activities along with Their In Silico Studies

et al. 2020

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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 IC 50 values—46.29–100.60 μg/mL. Among all the tested compounds, compound 5l has the highest IC 50 value and compound 5g has the least IC 50 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.

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Section: Introductionmentioning

confidence: 99%

Pyridine- and Thiazole-Based Hydrazides with Promising Anti-inflammatory and Antimicrobial Activities along with Their In Silico Studies

et al. 2020

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“…Desai et al [ 13 ] have studied the in vitro antimicrobial activities of some newly hybrid oxazino-pyridine derivatives. The desired compounds, oxazin-3(4 H )-yl)phenyl)ethyildene)amino)-6-((arylidene)amino)-4-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine 23a – j , were synthesized in two steps, by cyclocondensation of oxazine 21 followed by condensation of the intermediate 22 , Scheme 5 .…”

Section: Resultsmentioning

confidence: 99%

Hybrid Azine Derivatives: A Useful Approach for Antimicrobial Therapy

et al. 2022

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Nowadays, infectious diseases caused by microorganisms are a major threat to human health, mostly because of drug resistance, multi-drug resistance and extensive-drug-resistance phenomena to microbial pathogens. During the last few years, obtaining hybrid azaheterocyclic drugs represents a powerful and attractive approach in modern antimicrobial therapy with very promising results including overcoming microbial drug resistance. The emphasis of this review is to notify the scientific community about the latest recent advances from the last five years in the field of hybrid azine derivatives with antimicrobial activity. The review is divided according to the main series of six-member ring azaheterocycles with one nitrogen atom and their fused analogs. In each case, the main essential data concerning synthesis and antimicrobial activity are presented.

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“…CoMFA and CoMSIA methods were used for 3D-QSAR analysis [19], and all operations were completed with SYBYL2.1.1 software module. The molecular dynamics program Minimize was used to optimize the energy of all compounds to obtain their lowest energy conformation.…”

Section: Western Blot Analysismentioning

confidence: 99%

“…In the quantitative structure-activity relationship modeling, the biological activity value LD50 (collected from PubChem) was calculated in mg/kg, as shown in Table 1. CoMFA and CoMSIA methods were used for 3D-QSAR analysis [19], and all operations were completed with SYBYL2.1.1 software module. The molecular dynamics program Minimize was used to optimize the energy of all compounds to obtain their lowest energy conformation.…”

Section: D-qsarmentioning

confidence: 99%

Effects of Phthalate Esters (PAEs) on Cell Viability and Nrf2 of HepG2 and 3D-QSAR Studies

Liu

Huang

Xiao

et al. 2021

Toxics

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Phthalate esters (PAEs) are a widespread environmental pollutant, and their ecological and environmental health risks have gradually attracted attention. To reveal the toxicity characteristics of these compounds, ten PAEs were selected as research objects to establish a cell model. CCK-8 was used to determine cell viability, Western blots were used to determine the content of Nrf2 in HepG2, and the LD50 collected for the 13 PAEs administered to rats. On this basis, 3D-QSAR models of IC50, LD50 and Nrf2 were established. The experimental results showed that as the time of PAEs exposure increased (24, 48 and 72 h), cell viability gradually decreased. The test concentration (62.5 /125/250 μM) of PAEs exposed for 48 h could significantly increase the content of Nrf2, and the 1000 μM PAEs could inhibit the content of Nrf2. The model is relatively stable and predicts well that the introduction of large and hydrophobic groups may significantly affect the toxic effects of PAEs on cells. The present study provided a potential tool for predicting the LD50 and Nrf2 of new PAEs, and provide a reference for the design of new less toxic PAEs in the future.

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Synthesis, Antimicrobial Activity and 3D‐QSAR Study of Hybrid Oxazine Clubbed Pyridine Scaffolds

Cited by 9 publications

References 21 publications

Pyridine- and Thiazole-Based Hydrazides with Promising Anti-inflammatory and Antimicrobial Activities along with Their In Silico Studies

Pyridine- and Thiazole-Based Hydrazides with Promising Anti-inflammatory and Antimicrobial Activities along with Their In Silico Studies

Hybrid Azine Derivatives: A Useful Approach for Antimicrobial Therapy

Effects of Phthalate Esters (PAEs) on Cell Viability and Nrf2 of HepG2 and 3D-QSAR Studies

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