Asian Journal of Organic & Medicinal Chemistry最新文献_第3页

Synthesis, Spectral Characterization, Antibacterial, Antifungal and AnticancerEvaluation of N-[4-(1,3-Benzothiazol-2-ylcarbamoyl)phenyl]pyrazine-2-carboxamide N-[4-(1,3-苯并噻唑-2-酰基氨基甲酰基)苯基]吡嗪-2-羧酰胺的合成、光谱表征、抗菌、抑菌和抗癌评价

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p320

G. Senthilkumar, C. Umarani, D. Satheesh

引用次数: 0

Mono and Tri-cationic Imidazolium Salts: Use as Stabilizers forSilver Nanoparticles and Anticancer Study 单和三阳离子咪唑盐:用作纳米银稳定剂和抗癌研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p331

R. Rohini, N. N. Reddy, A. Sanjeev, S. Bhaskar, P. M. Reddy

{"title":"Mono and Tri-cationic Imidazolium Salts: Use as Stabilizers for\u0000Silver Nanoparticles and Anticancer Study","authors":"R. Rohini, N. N. Reddy, A. Sanjeev, S. Bhaskar, P. M. Reddy","doi":"10.14233/ajomc.2021.ajomc-p331","DOIUrl":"https://doi.org/10.14233/ajomc.2021.ajomc-p331","url":null,"abstract":"In present strudy, the synthesis and characterization of monocationic 1,3-tetradecylimidazolium; [(C14)2Im]Br and tricationic benzene centered tris-tetradecyl/hexadecyl imidazolium bromide salts; i.e. [(C14)3C6H3Im]Br3 and [(C16)3C6H3ImBr]Br3 is reported. The stabilizer role of imidazolium salts to prepare silver nanoparticles (AgNPs) via chemical reduction method was investigated. To understand the reaction medium effect on the size and morphology control of AgNPs, monophasic (aqueous medium) and biphasic (DCM/H2O) approaches were applied. The morphology control was noticed for AgNPs protected with [(C14)3C6H3Im]Br3 (show sphere like morphology) and [(C14)2Im]Br (show dendritic structures) via biphasic approach. A clear variation in the size and morphology of AgNPs was noticed by varying the type of stabilizers and reaction medium. It was also observed that AgNPs were formed and stabilized only in aqueous medium in both approaches, thus it is assumed that AgNPs surfaces were protected by imidazolium salts with bilayer fashion. Anticancer activity of imidazolium salts was performed by MTT assay against HeLa cancer cell lines. The result shows that cytotoxic activity of tricationic [(C14)3C6H3Im]Br3 was more potent than that of monocationic [(C14)2Im]Br. The outcome suggests that there is an urgent need to develop new polycationic imidazolium salts for various chemical and medicinal applications.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"2014 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86752653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantum Computational, Spectroscopic, NHO and Molecular Docking Studies on1-Methyl-nicotinamide (MNA): An Antithrombotic, Anti-inflammatory,Gastroprotective and Vasoprotective Compound 抗血栓、抗炎、胃保护和血管保护化合物1-甲基烟酰胺(MNA)的量子计算、光谱、NHO和分子对接研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p326

Mukesh Kumar, Satyavir Singh, N. Siddiqui, S. Javed

{"title":"Quantum Computational, Spectroscopic, NHO and Molecular Docking Studies on\u00001-Methyl-nicotinamide (MNA): An Antithrombotic, Anti-inflammatory,\u0000Gastroprotective and Vasoprotective Compound","authors":"Mukesh Kumar, Satyavir Singh, N. Siddiqui, S. Javed","doi":"10.14233/ajomc.2021.ajomc-p326","DOIUrl":"https://doi.org/10.14233/ajomc.2021.ajomc-p326","url":null,"abstract":"In present work, 1-methylnicotinamide (1-MNA) has been investigated theoretically by density functional theory approach and investigated its vibrational spectroscopy. To complete the structure optimization, determination of vibrational frequencies and other valuable parameters, B3LYP method used with the 6-311++G(d,p) basis set. Atoms in molecules theory (AIM) had been used to evaluate ellipticity, isosurface projection by electron localization function and binding energies. The IR and Raman spectra have also been calculated computationally. NBO analysis employed to determine interactions of donor and acceptor. Fukui functions and molecular electrostatic potential (MEP) showed reactive regions of the molecule. UV-vis spectrum calculated using TD-DFT/PCM methods with different solvents. Thermodynamic properties like free energy, enthalpy and entropy with various temperature were calculated. By the use of the electrophilicity index, the probability of the bioactive nature of the molecule was proved theoretically. Protein-ligand interactions calculated and established by molecular docking. The biological investigations for druglikeness also employed for the (1-MNA).","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"58 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90234977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Green Synthesis of Barbituric Acid Derivative via Goldsmith Effluent Initiated GoldNanoparticles and its Molecular Docking Study against Alzheimer Drug Target Goldsmith废水绿色合成巴比妥酸衍生物及其与阿尔茨海默药物靶点的分子对接研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p332

S. V. Thakare, A. Borhade, T. Patil

引用次数: 0

Highly Regioselective Ring-Opening of Epoxides: Synthesis andBiological Evaluation as Potent Antimicrobial Agents 高区域选择性开环环氧化物:作为有效抗菌剂的合成和生物学评价

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p341

N. H. Lalavani, K. A. Bhensdadia, S. Baluja

引用次数: 0

Synthesis, Characterization and Biological Activities ofN-(4-(3,4-Dichlorophenoxy)-phenyl)-4-alkoxybenzamide Derivatives n -(4-(3,4-二氯苯氧基)-苯基)-4-烷氧苯酰胺衍生物的合成、表征及生物活性

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p309

Pradip C. Bhalodiya, H. N. Patel, C. Sangani

{"title":"Synthesis, Characterization and Biological Activities of\u0000N-(4-(3,4-Dichlorophenoxy)-phenyl)-4-alkoxybenzamide Derivatives","authors":"Pradip C. Bhalodiya, H. N. Patel, C. Sangani","doi":"10.14233/ajomc.2021.ajomc-p309","DOIUrl":"https://doi.org/10.14233/ajomc.2021.ajomc-p309","url":null,"abstract":"An alkoxy benzamide derivatives are have been synthesized in four steps. Alkylation, halo phenol coupling, nitro group reduction and acid amine coupling gave in decent yield. Likewise, these targets were synthesized by coupling of 4-(3,4-dichlorophenoxy) aniline with N-(4-(3,4-dichlorophenoxy)phenyl)- 4-alkoxybenzamide by using (1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxide hexa fluorophosphate, hexa fluorophosphate azabenzotriazole tetramethyl uronium) (HATU), N,N-diisopropylethylamine (DIPEA) in dimethylformamide (DMF) at 0 ºC to room temperature. Reduction of nitro group in the presence of 10% Pd/C, H2 (g) in MeOH at room temperature. Obtained in decent to excellent yield. Anti-tuberculosis activity of all synthesized derivatives (7a-l) was complete against the H37RV strain as per reported broth dilution method mentioned in experimental section. Bio-assay results showing that derivatives 7c, 7e and 7i exhibited exceptional activity against the H37RV strain with MIC value 62.5 μg/mL. Furthermore, other derivatives were showed poor potency against same strain when compared with standard drugs isoniazid and rifampicin.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"69 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81221857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

PTSA-Catalyzed One Pot Domino Synthesis of Dihydropyrido[2,3-d]pyrimidineDerivatives and their Antimicrobial Activity ptsa催化一锅多米诺合成二氢吡啶[2,3-d]嘧啶衍生物及其抑菌活性

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p340

K. A. Bhensdadia, P. L. Kalavadiya, N. H. Lalavani, S. Baluja

引用次数: 0

A Clean, Benign, Energy Efficient One-Pot Multicomponent Synthesis andBio-evaluation of Novel [1,2,4]Triazolo[1,5-a]quinolines 新型[1,2,4]三唑啉[1,5- A]喹啉类化合物清洁、良性、高效的一锅多组分合成及生物评价

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p322

H. Parekh, M. Chauhan, N. Solanki, V. Shah

引用次数: 0

Quantum Computational, Spectroscopic and Molecular DockingStudies on N-(4-Hydroxyphenyl)picolinamide N-(4-羟基苯基)吡啶酰胺的量子计算、光谱和分子对接研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p334

Meenakshi Singh, Mukesh Kumar, N. Singh, Shikha Sharma, Neha Agarwal, Indresh Verma, Satyavir Singh, N. Siddiqui, S. Javed

{"title":"Quantum Computational, Spectroscopic and Molecular Docking\u0000Studies on N-(4-Hydroxyphenyl)picolinamide","authors":"Meenakshi Singh, Mukesh Kumar, N. Singh, Shikha Sharma, Neha Agarwal, Indresh Verma, Satyavir Singh, N. Siddiqui, S. Javed","doi":"10.14233/ajomc.2021.ajomc-p334","DOIUrl":"https://doi.org/10.14233/ajomc.2021.ajomc-p334","url":null,"abstract":"In this work, the quantum computations of newly synthesized N-(4-hydroxyphenyl)picolinamide (4-HPP) is focused. Density functional theory (DFT) was used to perform the quantum calculations. The optimized molecular geometry was obtained using the B3LYP and MP2 methods employing 6-311++G(d,p) basis set, which served as the foundation for all subsequent calculations. The experimental data was compared with the calculated vibrational frequencies and NMR spectra. With the use of the molecular electrostatic potential surface (MEP) and the Fukui functions, the charge distribution, reactive regions and electrostatic potential were displayed. The chemical activity of the 4-HPP was evaluated by the energy difference between HOMO and LUMO. For better understanding of the intermolecular charge transfer (ICT), natural bond order analysis (NBO) was used. At various temperatures, thermodynamic parameters such as Gibb’s free energy, enthalpy and entropy were determined. The electrophilicity index was used to portray the molecule’s bioactivity and molecular docking was used to show the interaction between the ligand and the protein. The nature of the molecule was determined by drug similarity when expecting its application for medical purposes.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"56 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90875323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Microwave Assisted Envirocat EPZ-10 Catalyzed Multi-componentSynthesis of 1-Amidoalkyl-2-naphthols 微波辅助环境EPZ-10催化多组分合成1-氨基烷基-2-萘酚

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2021-01-01 DOI: 10.14233/ajomc.2021.ajomc-p335

Kanchan S. Joshi-Kulkarni, T. Chhowala, B. Ajalkar

引用次数: 0