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Design, synthesis and in vitro biological evaluation of short-chain C12-sphinganine and its 1,2,3-triazole analogs as potential antimicrobial and anti-biofilm agents

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Design, synthesis and in vitro biological evaluation of shor...

全国第十八届大环化学暨第十届超分子化学学术讨论会

作者： tangadanchu vijai kumar reddy Bethala Lakshmi Anu Prabhavathi Devi Cheng-He Zhou Centre for Lipid Research CSIR-Indian Institute of Chemical Technology Laboratory of Bioorganic & Medicinal Chemistry School of Chemistry and Chemical Engineering Southwest University

＜正＞In the present study,we report the synthesis of short-chain C12-sphinganine and a small library of its1,2,3-triazoles from commercially available and inexpensive 10-undecenoic acid as a starting material for the first *** synthesized compounds were further screened for different in vitro biological activities such as antimicrobial,antifungal,anti-biofilm,as well as for their ability to induce elevation

关键词： short-chain sphinganine 1,2,3-triazole antimicrobial anti-biofilm

Discovery of natural berberine-derived nitroimidazoles as potentially multi-targeting agents against drug-resistant Escherichia coli

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Science China Chemistry 2018年第5期61卷 557-568页

作者： Guo-Biao Zhang Swetha Kameswari Maddili vijai kumar reddy tangadanchu Lavanya Gopala Wei-Wei Gao Gui-Xin Cai Cheng-He Zhou Institute of Bioorganic & Medicinal Chemistry Key Laboratory of Applied Chemistry of Chongqing Municipality School of Chemistry and Chemical Engineering Southwest University

A series of natural berberine-derived nitroimidazoles as novel antibacterial agents were designed, synthesized and characterized by nuclear magnetic resonance(NMR), infrared spectra(IR), and high resolution mass spectra(HRMS) spectra. The antimicrobial evaluation showed that some target molecules exhibited moderate to good inhibitory activities against the tested bacteria and fungi including clinical drug-resistant strains isolated from infected patients. Especially, 2-fluorobenzyl derivative8 f not only gave strong activity against drug-resistant E. coli with the minimal inhibitory concentration(MIC) value of0.003 m M, 33-fold more active than norfloxacin, but also exhibited low toxicity toward RAW 264.7 cells and less propensity to trigger resistance. The aqueous solubility and Clog P values of target compounds were investigated to elucidate the structureactivity relationships. Molecular docking and quantum chemical studies for compound 8 f rationally explained its antibacterial effect. The further exploration of antibacterial mechanism revealed that the highly active compound 8 f could effectively permeabilize E. coli cell membrane and intercalate into DNA isolated from resistant E. coli to form 8 f-DNA complex that might block DNA replication to exert the powerful bioactivities. Compound 8 f could also selectively address resistant E. coli from a mixture of various strains.

关键词： berberine nitroimidazole Escherichia coli DNA membrane permeabilization

Novel potentially antibacterial naphthalimide-derived metronidazoles:Design,synthesis,biological evaluation and supramolecular interactions with DNA,human serum albumin and topoisomeraseⅡ

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Chinese Chemical Letters 2017年第7期28卷 1369-1374页

作者： Jie Kang vijai kumar reddy tangadanchu Lavanya Gopala Wei-Wei Gao Yu Cheng Han-Bo Liu Rong-Xia Geng Shuo Li Cheng-He Zhou Institute of Bioorganic&Medicinal Chemistry Key Laboratory of Applied Chemistry of Chongqing MunicipalitySchool of Chemistry and Chemical EngineeringSouthwest UniversityChongqing 400715China School of Chemical Engineering Chongqing University of TechnologyChongqing 400054China Postdoctoral researcher from CSIR-Indian Institute of Chemical Technology Hyderabad 500007India Postdoctoral researcher Sri Venkateswara University Tirupati 517502India

A series of novel naphthalimide-derived metronidazoles as new type of antimicrobial agents were for the first time designed, synthesized and characterized by NMR, IR and HRMS spectra. Experimental results revealed that most of them displayed moderate to good antibacterial activity towards Gram-positive and negative bacteria. Especially, compound 7b was able to not only exhibit effective inhibition towards the growth of P. vulgaris（MIC = 0.002 mmol/m L） and S. dysenteriae（MIC = 0.01 mmol/m L）, but also have rapidly killing effect and prevent the development of bacterial resistance. Further research revealed that the highly active molecule 7b could not only intercalate into calf thymus DNA to form a steady supramolecular complex and thus might block DNA replication to exert the powerful bioactivities, but also be effectively transported by human serum albumin（HSA） via the formation of the 1：1supramolecular complex, in which hydrogen bonds and hydrophobic effect played important roles in the association of compound 7b with HSA. Molecular docking indicated that the supramolecular interactions between 7b and topoisomerase II were driven by hydrogen bonds.

关键词： Metronidazole Naphthalimide Antibacterial Supramolecular DNA

Design and Synthesis of Potential Antimicrobial Azolylalcohol Carbazoles

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Design and Synthesis of Potential Antimicrobial Azolylalcoho...

中国化学会第十四届全国有机合成化学学术研讨会

作者： Yuan Zhang vijai kumar reddy tangadanchu Cheng-He Zhou School of Chemistry and Chemical Engineering Southwest University

A series of novel carbazole-derived azolyl ethanols as potentially antimicrobial agents were designed and synthesized from commercially available carbazole,epichlorohydrin and *** antimicrobial assay revealed that3,6-dichlorocarbazole triazolyl ethanol 3f exhibited comparable or superior inhibitory activities against some tested strains to reference drug and the active molecule 3f also showed lower activity in triggering the development of resistance in bacteria than *** with DNA suggested that it could form 3f–DNA complex by intercalating into DNA,which might be a possible mechanism for its antimicrobial action.

关键词： carbazole azolylalcohol ring opening reaction DNA interaction

Design and Synthesis of Potential Antibacterial Isatin-Metronidazoles

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Design and Synthesis of Potential Antibacterial Isatin-Metro...

中国化学会第十四届全国有机合成化学学术研讨会

作者： vijai kumar reddy tangadanchu Yuan Zhang Cheng-He Zhou School of Chemistry and Chemical Engineering Chongqing Southwest University

A series of novel isatin derived metronidazole hybrids were designed and synthesized from commercially available isatin,epichlorohydrin and nitroimidazole through nucleophilic substitution and ring opening *** bioactive assay manifested that 4-nitroimidazole containing isatin exhibited comparable or superior antibacterial activity against all the tested bacterial starins in contrast to standard ***,the binding behaviour of the most potent compound to DNA was studied to explore the possible antibacterial mechanism.

关键词： isatin metronidazole antibacterial DNA

Synthesis of Novel Antifungal Hybrids of Flucytosine and Fluconazole

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Synthesis of Novel Antifungal Hybrids of Flucytosine and Flu...

中国化学会第十四届全国有机合成化学学术研讨会

作者： Xian-Fu Fang vijai kumar reddy tangadanchu Cheng-He Zhou Institute of Bioorganic & Medicinal Chemistry School of Chemistry and Chemical EngineeringSouthwest University

Flucytosine is a synthetic antimycotic drug in basic health systems and is rarely used alone because of the rapid development of drug resistance that occurs during *** as a well-known first-line azole antifungal drug has an exceptional therapeutic record including good activity and favorable pharmacokinetic *** the design of new drugs,hybridization approach is a prevalent strategy worldwide to obtain molecules with improved activity and overcome drug resistance due to the different action mechanisms of hybrid drug ***,a series of novel potentially antifungal hybrids of flucytosine and fluconazole were synthesized and characterized by H NMR,C NMR,IR and HRMS spectra.

关键词： flucytosine fluconazole hybridization antifungal

Synthesis of π-Conjugated Field Transferred Berberine-based Nitroimidaozles as Potential Antibacterial Agents

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Synthesis of π-Conjugated Field Transferred Berberine-based...

中国化学会第十四届全国有机合成化学学术研讨会

作者： Guo-Biao Zhang vijai kumar reddy tangadanchu Cheng-He Zhou Institute of Bioorganic ＆ Medicinal Chemistry School of Chemistry and Chemical EngineeringSouthwest University

A series of berberine-derived nitroimidazoles as novel antibacterial agents were designed, synthesized and characterized by NMR, IR, and HRMS spectra. The antibacterial evaluation showed that compound 7h exerted 13-fold more potent activity against MRSA strains than clinical norfloxacin. The active molecule 7h was further cultured and confirmed by X-ray diffraction analysis.

关键词： berberine nitroimidaozle π-conjugation antibacterial

State-of-the-art and future directions of machine learning for biomass characterization and for sustainable biorefinery

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Journal of Energy Chemistry 2023年第6期81卷 42-63,I0003页

作者： Aditya Velidandi Pradeep kumar Gandam Madhavi Latha Chinta Srilekha Konakanchi Anji reddy Bhavanam Rama Raju Baadhe Minaxi Sharma James Gaffey Quang D.Nguyen vijai kumar Gupta Integrated Biorefinery Research Laboratory Department of BiotechnologyNational Institute of TechnologyWarangalTelangana 506004India Stem cell research laboratory Department of BiotechnologyNational Institute of TechnologyWarangalTelangana 506004India Department of Biotechnology Chaitanya University(Deemed to be University)WarangalTelangana 506001India Department of Chemical Engineering Dr.B.R.Ambedkar National Institute of Technology JalandharPunjab 144027India Haute Ecole Provinciale de Hainaut-Condorcet 7800 ATHBelgium Department of Applied Biology University of Science and TechnologyMeghalaya 793101India Circular Bioeconomy Research Group Shannon Applied Biotechnology CentreMunster Technological UniversityKerryIreland Department of Bioengineering and Alcoholic Drink Technology Institute of Food Science and TechnologyHungarian University of Agriculture and Life SciencesH-1118 BudapestḾenesiút 45Hungary Biorefining and Advanced Materials Research Center SRUCKings BuildingsWest Mains RoadEdinburgh EH93JGUK Department of Biotechnology Graphic Era Deemed to be UniversityDehradun 248002UttarakhandIndia

Machine learning(ML)has emerged as a significant tool in the field of biorefinery,offering the capability to analyze and predict complex processes with *** article reviews the current state of biorefinery and its classification,highlighting various commercially successful ***,we delve into different categories of ML models,including their algorithms and applications in various stages of biorefinery lifecycle,such as biomass characterization,pretreatment,lignin valorization,chemical,thermochemical and biochemical conversion processes,supply chain analysis,and life cycle *** benefits and limitations of each of these algorithms are discussed in ***,the article concludes with a discussion of the limitations and future prospects of ML in the field of biorefineries.

关键词： Biofuel Biomass characterization Biorefinery Life cycle assessment Machine learning Pretreatment

Design and Synthesis of Potential Antimicrobial Quinazolone Thiazoles

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Design and Synthesis of Potential Antimicrobial Quinazolone ...

中国化学会·第十五届全国有机合成化学学术研讨会

作者： Jie Wang Hang Sun vijai kumar reddy tangadanchu 周成合 College of Chemistry and Chemical Engineering Southwest University CSIR-Indian Institute of Chemical Technology 西南大学

A series of novel quinazolinone thiazoles as potentially antimicrobial agents were synthesized by multi-step reactions from the commercial formamidine acetate and confirmed by H NMR, CNMR and HRMS *** antimicrobial assay showed that compound 4(n = 4) displayed good antibacterial and antifungal activities, especially towards clinically drug-resistant pseudomonas aeruginosa(MIC = 1 μg/mL), superior to reference norfloxacin(MIC = 512 μg/mL).

关键词： quinazolone thiazoles antimicrobial HSA DNA