Asian Journal of Organic & Medicinal Chemistry最新文献_第5页

Glyphosate and Non-Hodgkin Lymphoma 草甘膦和非霍奇金淋巴瘤

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-12-31 DOI: 10.14233/ajomc.2020.ajomc-p301

A. Boretti

引用次数: 1

Screening of Kabasura Kudineer Chooranam against COVID-19 through Targeting of Main Protease and RNA-Dependent RNA Polymerase of SARS-CoV-2 by Molecular Docking Studies 靶向SARS-CoV-2主要蛋白酶和RNA依赖性RNA聚合酶筛选Kabasura Kudineer Chooranam抗COVID-19的分子对接研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-06-12 DOI: 10.2139/ssrn.3625653

GOPALASATHEESKUMAR K, Karthikeyen Lakshmanan, Anguraj Moulishankar, J. Suresh, D. K. Babu, V. Kalaichelvan

{"title":"Screening of Kabasura Kudineer Chooranam against COVID-19 through Targeting of Main Protease and RNA-Dependent RNA Polymerase of SARS-CoV-2 by Molecular Docking Studies","authors":"GOPALASATHEESKUMAR K, Karthikeyen Lakshmanan, Anguraj Moulishankar, J. Suresh, D. K. Babu, V. Kalaichelvan","doi":"10.2139/ssrn.3625653","DOIUrl":"https://doi.org/10.2139/ssrn.3625653","url":null,"abstract":"COVID-19 is the infectious pandemic disease caused by the novel\u0000coronavirus. The COVID-19 is spread globally in a short span of\u0000time. The Ministry of AYUSH, India which promotes Siddha and\u0000other Indian system of medicine recommends the use of formulation\u0000like Nilavembu Kudineer and Kaba Sura Kudineer Chooranam\u0000(KSKC). The present work seeks to provide the evidence for the\u0000action of 74 different constituents of the KSKC formulation acting\u0000on two critical targets. That is main protease and SARS-CoV-2 RNAdependent\u0000RNA polymerase target through molecular docking studies.\u0000The molecular docking was done by using AutoDock Tools 1.5.6 of\u0000the 74 compounds, about 50 compounds yielded docking results against\u0000COVID-19 main protease while 42 compounds yielded against SARSCoV-\u00002 RNA-dependent RNA polymerase. This research has concluded\u0000that the KSKC has the lead molecules that inhibits COVID-19’s target\u0000of main protease of COVID-19 and SARS-CoV-2 RNA-dependent\u0000RNA polymerase.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74549798","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: 5

Selective Oxidation of Benzyl Halides to Benzaldehydes by Phase TransferCatalyzed Monochromate Ions in Non-Polar Solvents 非极性溶剂中相转移催化的单铬酸盐离子选择性氧化苄基卤化物生成苯甲醛

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p287

K. Bijudas, P. Bashpa

引用次数: 0

Simultaneous Spectrophotometric Determination of Lamivudine andStavudine using π-Acceptors as Analytical Reagents π受体同时分光光度法测定拉米夫定和司他夫定的含量

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p274

Sayanna, T. Veeraiah, C. V. Ramana Reddy

{"title":"Simultaneous Spectrophotometric Determination of Lamivudine and\u0000Stavudine using π-Acceptors as Analytical Reagents","authors":"Sayanna, T. Veeraiah, C. V. Ramana Reddy","doi":"10.14233/ajomc.2020.ajomc-p274","DOIUrl":"https://doi.org/10.14233/ajomc.2020.ajomc-p274","url":null,"abstract":"Two new sensitive and precise spectrophotometric methods have been proposed and developed for the simultaneous estimation of lamivudine and stavudine in pure mixture and in pharmaceutical binary dosage forms. A new concept of area under curve (AUC) is proposed for simultaneous estimation of two drugs by these methods. Method A involves the use of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as analytical reagent and the AUC between 390 nm and 690 nm for DDQ was used for determination. Method B involves the use of p-chloranilic acid: 2,5-dichloro-3,6-dihydroxy-1,4- benzoquinone (p-CA) as an analytical reagent and the AUC between 400 and 700 nm for p-chloranilic acid was used for deter-mination. The methods developed and construction of calibration curves using two analytical reagents viz., DDQ and p-chloranilic acid are described. Optical and analytical parameters for the individual and simultaneous determination of lamivudine and stavudine using AUC are tabulated. The methods have been validated and compared with HPLC methods in terms of standard deviation, t-test and F-test.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"108 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76331598","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

Synthesis, Molecular Structure, HOMO-LUMO and Spectroscopic Investigation of(E)-1-(2,4-Dichloro-5-fluorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one:A DFT Based Computational Exploration (E)-1-(2,4-二氯-5-氟苯基)-3-(2,6-二氯苯基)丙-2-烯-1-酮的合成、分子结构、HOMO-LUMO和光谱研究:基于DFT的计算探索

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p285

V. A. Adole, R. H. Waghchaure, T. B. Pawar, Bapusonu Jagdale, Kailas H. Kapadnis

{"title":"Synthesis, Molecular Structure, HOMO-LUMO and Spectroscopic Investigation of\u0000(E)-1-(2,4-Dichloro-5-fluorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one:\u0000A DFT Based Computational Exploration","authors":"V. A. Adole, R. H. Waghchaure, T. B. Pawar, Bapusonu Jagdale, Kailas H. Kapadnis","doi":"10.14233/ajomc.2020.ajomc-p285","DOIUrl":"https://doi.org/10.14233/ajomc.2020.ajomc-p285","url":null,"abstract":"In present study, the synthesis, molecular structure, HOMO-LUMO and spectroscopic investigation of (E)-1-(2,4-dichloro-5-fluorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one (CFPCP) is reported. The structure of the title compound was affirmed based on FTIR, 1H NMR & 13C NMR spectroscopic techniques. The computational examination has been performed by employing density functional theory (DFT) method at B3LYP/6-311G++(d,p) basis set. The geometry of the title molecule has been optimized and established at the same level of theory. The various structural and quantum chemical parameters have been investigated for the title molecule at the 6-311G++(d,p) basis set. To explore the electron distribution, Mulliken atomic charges and molecular electrostatic potential surface are discussed. Besides, vibrational assignments were made and the scaled frequencies have been compared with the experimental frequencies. For the investigation of the absorption wavelength, excitation energy and the oscillator strength TD-DFT method using B3LYP/6-311G++(d,p) basis set is used. Some thermochemical functions have also been investigated using harmonic vibrational frequencies.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87047272","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

Development and Validation of Stability Indicating Method for SimultaneousEstimation of Esomeprazole and Levosulpiride by HPTLC using Experimental Design 采用实验设计建立高效液相色谱法同时测定埃索美拉唑和左舒必利的稳定性指示方法

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p273

M. Pandey, K. B. Prajapati, A. Vyas, A. Patel, Nishith K. Patel, A.I. Patel, A.B. Patel, A. Chudasama

{"title":"Development and Validation of Stability Indicating Method for Simultaneous\u0000Estimation of Esomeprazole and Levosulpiride by HPTLC using Experimental Design","authors":"M. Pandey, K. B. Prajapati, A. Vyas, A. Patel, Nishith K. Patel, A.I. Patel, A.B. Patel, A. Chudasama","doi":"10.14233/ajomc.2020.ajomc-p273","DOIUrl":"https://doi.org/10.14233/ajomc.2020.ajomc-p273","url":null,"abstract":"The present study examines simultaneous multiple response optimization using desirability function for the development of an HPTLC method to detect esomeprazole magnesium trihydrate and levosulpiride in pharmaceutical dosage form. HPTLC separation was performed on aluminium plates pre-coated with silica gel 60 F254 as the stationary phase using ethyl acetate:methanol:toluene:ammonia (7:1.5:1.5:0.1% v/v/v) as the mobile phase. Full factorial design applied for the optimization of degradation condition. Esomeprazole magnesium trihydrate and levosulpiride were subjected to acid, alkali hydrolysis, oxidation and photodegradation. Experimental full factorial design has been used during forced degradation to determine significant factors responsible for degradation and to optimize degradation conditions reaching maximum degradation. 32 and 23 full factorial design has been used for optimization of chromatographic condition in acid and base degradation study, respectively. Quantification was achieved based on a densitometric analysis of esomeprazole magnesium trihydrate and levosulpiride over the concentration range of 800-4000 ng/band and 1500-7500 ng/band, respectively at 254 nm. The method yielded compact and well-resolved bands at Rf of 0.70 ± 0.02 and 0.32 ± 0.02 for esomeprazole magnesium trihydrate and levosulpiride, respectively. The linear regression analysis for the calibration plots produced r2 = 0.9967 and r2 = 0.9981 for esomeprazole magnesium trihydrate and levosulpiride, respectively. Method is validated as per ICH (Q2)R1 guideline.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74678091","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

Computational, Experimental Structural Characterization and Molecular DockingStudies of 5,7-Dihydroxy-4-methoxyflavone against Cytochrome P450 Enzymes 5,7-二羟基-4-甲氧基黄酮抗细胞色素P450酶的计算、实验结构表征及分子对接研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p275

A. Harikrishnan, R. Madivanane

{"title":"Computational, Experimental Structural Characterization and Molecular Docking\u0000Studies of 5,7-Dihydroxy-4-methoxyflavone against Cytochrome P450 Enzymes","authors":"A. Harikrishnan, R. Madivanane","doi":"10.14233/ajomc.2020.ajomc-p275","DOIUrl":"https://doi.org/10.14233/ajomc.2020.ajomc-p275","url":null,"abstract":"In this work, the geometry optimization and harmonic vibrational wavenumbers of kaempferide (5,7-dihydroxy-4-methoxyflavone) were computed by density functional theory (DFT) method. Theoretically computed vibrational wavenumbers were compared with experimental values and the interpretation of the vibrational spectra has been studied. Frontier molecular orbitals (FMO) and molecular electrostatic potential (MEP) analysis of the title compound have been carried out. The 1H & 13C NMR, UV visible and electronic properties of the compound were investigated theoretically and compared with the experimental values. Molecular docking study of the compound against cytochrome P450 family enzymes (CYPs 1A1, 1A2, 3A4, 2C8, 2C9 and 2D6) were also studied and the results revealed that the title compound interact with human CYP2C8 enzymes with minimum binding energy of -9.43 kcal/mol. The compound forms hydrogen bond with the residues of Thr302, Thr305, Leu361, Val362, Cys435, Gln356 and Ala297. Thus, these studies assist to understand the inhibitory mechanism of kaempferide with CYP450 enzymes and may facilitate significant clinical implications in the prevention and treatment of various therapeutic diseases.","PeriodicalId":8846,"journal":{"name":"Asian Journal of Organic & Medicinal Chemistry","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74682160","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

Synthesis of Fluorinated Piperazinyl Substituted Quinazolines as Potential Antibacterial Agents

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p284

Amit B. Patel, P. Patel, Kajal Patel, K. Prajapati

引用次数: 2

Non-Nucleoside HIV-1 Reverse Transcriptase Inhibition Activity of aSeries of Dihydroalkoxybenzyloxopyrimidine (DABO) Derivatives:CoMFA, CoMSIA and Docking Studies 一系列双氢烷氧苄氧嘧啶(DABO)衍生物的非核苷类HIV-1逆转录酶抑制活性:CoMFA, CoMSIA和对接研究

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p289

B. Sarkar, Ananda Sarkar, A. D. Jana

引用次数: 0

Design, Synthesis and Evaluation of AryloxybenzylideneHydrazinyl-Benzoxazoles/Benzothiazoles Analogs as Antimycobacterial Agents 芳氧基苄基肼基苯并恶唑/苯并噻唑类抗细菌药物的设计、合成与评价

Asian Journal of Organic & Medicinal Chemistry Pub Date : 2020-01-01 DOI: 10.14233/ajomc.2020.ajomc-p272

G. Aruna, Ravindra G. Kulkarni, Baswaraj Machaa, M. Jojula, S. Gunda, G. Achaiah

引用次数: 0