Indian Journal of Heterocyclic Chemistry最新文献

Some New Benzotriazole Derivatives: Synthesis, Antimycobacterial Evaluation, Antimicrobial Efficacy, ADME Studies, and Molecular Docking Studies 一些新的苯并三唑衍生物:合成、抑菌评价、抑菌效果、ADME研究和分子对接研究

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.385

Nigam Jyoti Maiti, Swastika Ganguly

引用次数: 0

Synthesis and Biological Evaluation of N-Benzylindolylchalcone Analogs as Antitubercular Agents n -苄基吲哚查尔酮类似物抗结核药物的合成及生物学评价

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.349

Shivam Joshi, Neha Kawathekar

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Synthesis and Antibacterial Activity of New Amide Derivatives of Pyrimidinediones 新型嘧啶二酮酰胺类衍生物的合成及抗菌活性研究

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.311

Mary Nygi, L. Aruna Priya, Shalini Devi, B. Prashanthi, S. Kalyani

{"title":"Synthesis and Antibacterial Activity of New Amide Derivatives of Pyrimidinediones","authors":"Mary Nygi, L. Aruna Priya, Shalini Devi, B. Prashanthi, S. Kalyani","doi":"10.59467/ijhc.2023.33.311","DOIUrl":"https://doi.org/10.59467/ijhc.2023.33.311","url":null,"abstract":"A series of ten new pyrimidinedione derivatives (4a-j) was synthesized from a common scaffold, 1-(((benzyloxy) carbonyl)methyl)-1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carboxylic acid (2). The compound (2) was subjected to acid– amine coupling with different amines 3(a-j). The coupling reaction was performed using HATU as a coupling reagent at room temperature for 3h using the base N-methylmorpholine and solvent DMF. The desired derivatives were obtained with good yields. The synthesized compound’s purity was determined by HPLC analytical techniques. The structures of the pyrimidinediones were analyzed by Fourier-transform infrared spectroscopy, proton nuclear magnetic resonance (1H NMR), 13C NMR, liquid chromatography–mass spectrometry, and Human Resource Management System data. All ten amide derivatives were tested for antibacterial efficacy using Staphylococcus aureus (Gram-positive strain bacteria) and Pseudomonas putida (Gram-negative strain bacteria). Compounds 4g as well as 4h showed significant antibacterial effectiveness, with good minimum inhibition concentration values. A molecular docking study was also performed with the protein 3FQO selected from the Protein Data Bank. The amide compounds 4g and 4h displayed good docking scores. The results of the in silico study complemented the antibacterial effectiveness of the two analogs 4g and 4h. The presence of electron donating groups in these target molecules may be attributed to their high efficacy.","PeriodicalId":54993,"journal":{"name":"Indian Journal of Heterocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135038275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In Silico Studies of Piperazinyl-4-Nitroimidazole Derivatives in the Non-Nucleoside Inhibitory Binding Pocket of Human Immunodeficiency Virus-1-Reverse Transcriptase Enzyme 人类免疫缺陷病毒-1逆转录酶非核苷抑制结合袋中哌嗪基-4-硝基咪唑衍生物的硅晶研究

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.293

Priyanka Chandra, Swastika Swastika, Manik Ghosh

{"title":"In Silico Studies of Piperazinyl-4-Nitroimidazole Derivatives in the Non-Nucleoside Inhibitory Binding Pocket of Human Immunodeficiency Virus-1-Reverse Transcriptase Enzyme","authors":"Priyanka Chandra, Swastika Swastika, Manik Ghosh","doi":"10.59467/ijhc.2023.33.293","DOIUrl":"https://doi.org/10.59467/ijhc.2023.33.293","url":null,"abstract":"Human immunodeficiency virus-1 (HIV-1) reverse transcriptase enzyme catalyzes the conversion of viral RNA to DNA. This viral DNA infects a healthy host body, it leads to the production of viral DNA in higher concentrations and leads to a disease called acquired immunodeficiency syndrome; which is a very fatal disease and leads to the development of several other diseases. Therefore, the development of effective inhibitors is required to execute the therapeutic effects against this disease. In this context, in the present study, the docking studies of compounds showing HIV-1 inhibition were performed in the non-nucleoside reverse transcriptase inhibitory binding pocket of the enzyme HIV-1 reverse transcriptase (protein data bank [PDB] ID-1RT2), using AutoDock 4.2.6 and to identify the important pharmacophoric features required for the development of effective non-nucleoside reverse transcriptase inhibitors, pharmacophore analysis was performed. The findings of this study can be used as a valuable tool for identifying and developing potent and effective inhibitors.","PeriodicalId":54993,"journal":{"name":"Indian Journal of Heterocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135038254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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p-TSA-Promoted Efficient Synthesis of Some New Thiophene Hybridized Thiadiazolyl Schiff Bases as Antibacterial Agents p- tsa促进新型噻吩杂化噻二氮基席夫碱的高效合成

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.361

Geeta Mishra, Parmesh K. Dwivedi, Neeraj Verma, Sajal Srivastava, Ashok K. Singh, Devdutt Chaturvedi

{"title":"p-TSA-Promoted Efficient Synthesis of Some New Thiophene Hybridized Thiadiazolyl Schiff Bases as Antibacterial Agents","authors":"Geeta Mishra, Parmesh K. Dwivedi, Neeraj Verma, Sajal Srivastava, Ashok K. Singh, Devdutt Chaturvedi","doi":"10.59467/ijhc.2023.33.361","DOIUrl":"https://doi.org/10.59467/ijhc.2023.33.361","url":null,"abstract":"A new series of thiophene hybridized thiadiazolyl Schiff bases was designed and synthesized employing FeCl3-mediated cyclization of thiosemicarbazoneinto thiadiazoles and their subsequent Schiff bases formation using p-TSA in benzene. To understand the interaction of the proposed compounds with β-lactamase (Protein Data Bank [PDB] ID: 3UDI), a molecular docking was performed. All the compounds demonstrated an optimal binding affinity with β-lactamase (−8.17 to −9.75 kcal/mol) and showed crucial hydrogen bonds and π–π interaction with the leading amino acids Arg298, Ala300, and Val391 located at the active site of β-lactamase. The in vitro antibacterial activity of the desired molecules was conducted against few gram-positive and Gram-negative bacterial strains using amoxicillinas reference drug. The compound having p-hydroxyphenyl substituent (3c) was found to be potentially effective to inhibit P. aeruginosa and E. coli with MIC value 7.5 μg/mL and 9.0 μg/mL, respectively, whereas other compounds exhibited moderate to good activity. Altogether, the primary in-vitro screening of newly synthesized thiophene hybridized thiadiazole Schiff bases opens a new venture towards the development of promising alternatives of β-lactamase inhibitors as anti-bacterial agents.","PeriodicalId":54993,"journal":{"name":"Indian Journal of Heterocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135038267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Design, Synthesis, and Molecular Docking Studies of 1,3,4-Oxadiazole Scaffolds as Potential Antimicrobial Agents 1,3,4-恶二唑抗菌支架的设计、合成及分子对接研究

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.331

Khushal M. Kapadiya, Marupati Siddhartha, Kalpesh S. Parikh, Deepkumar S. Joshi, Jayesh Dhalani, Piyush V. Dholaria

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Synthesis of Some New 7-(arylidene/heteroylidene imino)-2-(3,4-dimethoxy-phenyl)-5-oxo- 1,5-dihydro-[1,2,4]triazolo[1,5-α]pyridine-6-carbonitrile Derivatives as Potent Antibacterial and Anti-inflammatory Agents 新型7-(芳基/杂酰基亚胺)-2-(3,4-二甲氧基苯基)-5-氧- 1,5-二氢-[1,2,4]三唑[1,5-α]吡啶-6-碳腈衍生物的合成

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.278

Praneetha Visampalli, Girija Sastry Vedula

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Synthesis and Antioxidant Activity of Tiglic Aldehyde-Based Fused Imidazo[1,2-a]Pyridines: A Groebke–Blackburn–Bienaymé Reaction 苯乙烯醛基咪唑[1,2- A]吡啶的合成及抗氧化活性:groebke - blackburn - bienaym<s:1>反应

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Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.341

Ravikumar R. Makwana, Khushal M. Kapadiya, Jaysukhlal M. Parmar

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Synthesis and Evaluation of Some New Pyridines as Possible P-gp Inhibitors with Reduced Calcium Channel Blocking Activity 降低钙通道阻断活性的P-gp抑制剂新吡啶类化合物的合成与评价

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.377

K. Mamatha, K. Sirisha, E. Venkateswarlu, B.S. Sharavanabhava

{"title":"Synthesis and Evaluation of Some New Pyridines as Possible P-gp Inhibitors with Reduced Calcium Channel Blocking Activity","authors":"K. Mamatha, K. Sirisha, E. Venkateswarlu, B.S. Sharavanabhava","doi":"10.59467/ijhc.2023.33.377","DOIUrl":"https://doi.org/10.59467/ijhc.2023.33.377","url":null,"abstract":"The 1,4-dihydropyridine derivatives (DHPs) (3a-b and 4a-c) were oxidized with iodine in methanol to produce five new, hitherto unreported pyridine derivatives (5a-b and 6a-c). The “Everted sac method” was used to assess the DHPs and their pyridines for potential p-glycoprotein (P-gp) inhibitory or multidrug resistance reversal action. Domperidone, a P-gp substrate, was examined for intestinal absorption in everted rat jejunal segments in the presence and absence of DHPs (3a-b and 4a-c) and pyridines (5a-b and 6a-c) at doses of 30 μg/mL and 100 μg/mL. The standard was Verapamil, a known P-gp inhibitor (30 μg/mL and 100 μg/mL). The P-gp inhibition of all the tested compounds was higher than Verapamil. The P-gp inhibition of compounds 5b and 6b was the highest. Utilizing isolated rat ileum, the newly synthesized pyridine derivatives calcium channel blocking efficacy was also investigated. The strongest Ca2+ channel-blocking action was seen with compound 5b. It was determined to be equivalent to Nifedipine, the gold standard. Strong P-gp inhibitor compound 6b has little calcium channel-blocking action.","PeriodicalId":54993,"journal":{"name":"Indian Journal of Heterocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135038110","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Synthesis, In Vitro and In Silico Biological Studies of 1, 2, 3-Triazole-Furan Chalcone Hybrids 1,2,3 -三唑-呋喃查尔酮杂化物的合成、体外及硅生物学研究

4区化学

Indian Journal of Heterocyclic Chemistry Pub Date : 2023-09-30 DOI: 10.59467/ijhc.2023.33.369

T. M. Somanatha, G. Krishnaswamy, R. Bhavana, K. Radhakrishna, G. Shivaraj, S. Sreenivasa, M. Shet Prakash

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