Graph Theoretical Analysis, In Silico Modeling, Synthesis, Anti-Microbial and Anti-TB Evaluation of Novel Quinoxaline Derivatives

Govindaraj, Saravanan; Selvam, Theivendren Panneer; Alagarsamy, V.; Kunjiappan, Selvaraj; Joshi, Shrinivas D.; Murugan, Indhumathy; Kumar, P. Dinesh

doi:10.1055/s-0043-120198

Cited by 7 publications

(4 citation statements)

References 21 publications

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“…Herein all the synthesized compounds were investigated for in vitro anti-tubercular activity wherein results showed that compound 147 was sensitive at 1.95 μg/mL concentration and showed good activity. [78] Srinivasarao et al, developed some 1,2,3-triazole based quinoxaline as potential anti-tubercular agents (148, Figure 44). .…”

Section: Anti-tubercular Activitymentioning

confidence: 99%

“…Compound 147 also showed good activity with MIC value of 7.81 μg/mL when compared with standard drug ciprofloxacin (MIC=7.81 μg/mL) and ketoconazole (MIC: 7.81 μg/mL). Herein all the synthesized compounds were investigated for in vitro anti‐tubercular activity wherein results showed that compound 147 was sensitive at 1.95 μg/mL concentration and showed good activity [78] …”

Section: Pharmacological Activities Of Quinoxaline‐based Compoundsmentioning

confidence: 99%

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A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline

2023

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In last few decades, nitrogen‐containing heterocycles have maintained their status as an important core of FDA‐approved drugs and medicinally active compounds. Quinoxaline is one such class of nitrogen‐containing scaffold that has become a subject of extensive research as it possess a plethora of biological activities. Molecular hybridization is a versatile and rational approach to drug design that involves the combination of two bioactive molecules possessing distinct intrinsic activity into a single scaffold for enhancing their therapeutic potential. In view of this, the advancement and potential of quinoxaline hybrids bearing thiazole, triazole, oxadiazole, pyrrolizines, pyrazole, etc. have attracted the keen attention of researchers to explore their therapeutic ability against different biological targets. The present review includes the research in the recent years (2018–2023) and addresses the graceful advancements in the studies related to quinoxaline‐based small molecules including their synthetic routes, biological activities and structure‐activity relationships. We anticipate that this review article will provide comprehensive knowledge of pharmacological importance of quinoxaline analogues and will fulfill the need of scientific community in designing and developing efficacious novel molecules.

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Section: Anti-tubercular Activitymentioning

confidence: 99%

Section: Pharmacological Activities Of Quinoxaline‐based Compoundsmentioning

confidence: 99%

A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline

2023

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“…Kyoto encyclopedia of genes and genomes database was utilized for the study of graph theoretical analysis. The influential proteins was recognized and chosen by network of protein interaction (mtu: 00770) in homo sapiens [25][26][27][28].…”

Section: Graph Theoretical Analysismentioning

confidence: 99%

Design and Synthesis of Novel 1-substituted-3-(3-(3-nitrophenyl)-4-oxo-3,4-dihydrobenzopyrimidin-2-yl amino) Isothioureas for their Anti-HIV, Antibacterial Activities, Graph Theoretical Analysis, Insilico Modeling, Prediction of Toxicity and Metabolic Studies

2020

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In the present study, we have placed the substituted thiosemicarbazide moiety at the C-2 position and 3-nitrophenyl group at N-3 position of benzopyrimidines and studied their antitubercular, anti-HIV and antibacterial activities against selected gram positive and negative bacteria. The target compounds 1-substituted-3-(3-(3-nitrophenyl)-4-oxo-3,4-dihydrobenzopyrimidin-2-ylamino) isothioureas (PTS1 – PTS15 ) were obtained by the reaction of 2-hydrazino-3-(3-nitrophenyl) benzopyrimidin-4(3 H)-one (5) with different alkyl/aryl isothiocyanates followed by methylation with dimethyl sulphate. All synthesized compounds were screened for their antitubercular, anti-HIV and antibacterial activity against selective gram positive and gram negative bacteria by agar dilution method. Among the series, compound 2-methyl-3-(3-(3-nitrophenyl)-4-oxo-3,4-dihydrobenzopyrimidin-2-ylamino)-1-(3-chlorophenyl)isothiourea (PTS14) shown most potent activity against Klebsiella pneumoniae, Proteus vulgaris and Staphylococcus aureus; PTS14 exhibited the antitubercular activity at the minimum microgram of 1.56 µg/mL and anti-HIV activity at 0.96 µg/mL against HIV1 and HIV2 and offers potential for further optimization and development to new antitubercular and anti-HIV agents. The results obtained from this study confirm that the synthesized and biologically evaluated benzopyrimidines showed promising antimicrobial, antitubercular and anti-HIV activities and are new scaffolds for antimicrobial activity.

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“…A large number of pyrimidine and their derivatives are reported to possess a wide range of biological activities such as anticancer (Ahmed et al, 2009) , anxiolytic (Popik et al, 2006) , and antimicrobial (Selvam and Kumar,10 b,a) . Moreover, the pyrimidine derivatives are used as inhibitors of kinases, mainly to inhibit mediating signals of mitogenic and other events of cellular activities (Saravanan et al, 2018;Selvam et al, 12 b) such as differentiation, cell proliferation, migration, metabolism, and immune response. Also, many of the observed data indicate that these derivatives might block the proliferation of various cancer cell lines (Kamal et al, 2013;Prabhu et al, 2015) .…”

Section: Introductionmentioning

confidence: 99%

Synthesis And Characterization Of Novel Pyrimidine-4,5-Diamine As Anticancer Agent

Rao

et al. 2020

ijrps

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Unlike latent cells, cancer cells supply deoxyribonucleoside triphosphates to cells continuously and thereby, prop up the uncontrolled cancer growth. Pyrimidine has been concerned in the separation of leukemic cells, known as adenine bioisosteres, as well as its biological activities, especially its anticancer properties. In this context, a novel series of N5-(3-substituted benzylidene)-N4-phenyl pyrimidine-4,5-diamine [5A-5F] / N5-(2-substituted benzylidene)-N2,N2-dimethyl-N4-phenyl pyrimidine-2,4,5-triamine [5a-5f] were synthesized by using the starting ingredient formimidamide/4-(dimethylamino) benzimidamide and sodium ethoxide. The synthesized compounds were characterized by IR, 1H NMR, and Mass spectral analyses and screened for their biological studies. In the present study, pyrimidine derivatives and their insilico modeling were done by using c-Src kinase and p38 MAP kinase complex followed by the evaluation of their anticancer activity. The screening of synthesized scaffolds possessed significant activity against HeLa cell lines and showed similar activity compared to standard Cisplatin. Among all the synthesized compounds, N5-(4-hydroxybenzylidene)-N4-phenyl pyrimidine-4,5-diamine 5A, N5-benzylidene-N4-phenylpyrimidine-4,5-diamine 5C, N5-benzylidene-N2, N2-dimethyl-N4-phenyl pyrimidine-2,4,5-triamine 5c, and N5-(4-methoxy benzylidene)-N4-phenyl pyrimidine-4,5-diamine 5E showed the highest significant anticancer activity. Based on the study, it was observed that substituents such as 4-hydroxy, 4-fluoro, 4-nitro, 4-methoxy, and 4-methyl are important to produce a biological effect. Moreover, among these substituents, N5-(4-hydroxybenzylidene)-N4-phenyl pyrimidine-4,5-diamine exhibited the highest anticancer activity followed by unsubstituted derivative N5-benzylidene-N4-phenylpyrimidine-4,5-diamine, which delivered significant anticancer activity.

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Graph Theoretical Analysis, In Silico Modeling, Synthesis, Anti-Microbial and Anti-TB Evaluation of Novel Quinoxaline Derivatives

Cited by 7 publications

References 21 publications

A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline

A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline

Design and Synthesis of Novel 1-substituted-3-(3-(3-nitrophenyl)-4-oxo-3,4-dihydrobenzopyrimidin-2-yl amino) Isothioureas for their Anti-HIV, Antibacterial Activities, Graph Theoretical Analysis, Insilico Modeling, Prediction of Toxicity and Metabolic Studies

Synthesis And Characterization Of Novel Pyrimidine-4,5-Diamine As Anticancer Agent

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