Journal of Chemical Biology最新文献_第10页

Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase. 抗阿尔茨海默病的1n -甲基- 1s -甲基-2-亚硝基乙烯(NMSM)衍生物的合成及硅评价:了解其与乙酰胆碱酯酶的相互作用机制。

Journal of Chemical Biology Pub Date : 2012-09-20 eCollection Date: 2012-01-01 DOI: 10.1007/s12154-012-0084-z

M Kannan, P Manivel, K Geetha, J Muthukumaran, H Surya Prakash Rao, R Krishna

{"title":"Synthesis and in silico evaluation of 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives against Alzheimer disease: to understand their interacting mechanism with acetylcholinesterase.","authors":"M Kannan, P Manivel, K Geetha, J Muthukumaran, H Surya Prakash Rao, R Krishna","doi":"10.1007/s12154-012-0084-z","DOIUrl":"https://doi.org/10.1007/s12154-012-0084-z","url":null,"abstract":"Anomalous action of human acetylcholinesterase (hAChE) in Alzheimer's disease (AD) was restrained by various AChE inhibitors, of which the specific and potent lead candidate Donepezil is used for treating the disease AD. Besides the specificity, the observed undesirable side effects caused by Donepezil invoked the quest for new lead molecules with the increased potency and specificity for AChE. The present study elucidates the potency of six 1N-methyl-1S-methyl-2-nitroethylene (NMSM) derivatives to form a specific interaction with the peripheral anionic site and catalytic anionic subsite residues of hAChE. The NMSMs were prepared in good yield from 1,1-di(methylsulfanyl)-2-nitroethylene and primary amine (or) amino acid esters. In silico interaction analysis reveals specific and potent interactions between hAChE and selected ligand molecules. The site-specific interactions formed between these molecules also results in a conformational change in the orientation of active site residues of hAChE, which prevents them from being accessed by beta-amyloid protein (Aβ), which is a causative agent for amyloid plaque formation and acetylcholine (ACh). In silico interaction analysis between the ligand-bounded hAChE with Aß and ACh confirms this observation. The variation in the conformation of hAChE associated with the decreased ability of Aβ and ACh to access the respective functional residues of hAChE induced by the novel NMSMs favors their selection for in vivo analysis to present themselves as new members of hAChE inhibitors. ","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"5 4","pages":"151-66"},"PeriodicalIF":0.0,"publicationDate":"2012-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-012-0084-z","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31746923","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Measuring hydrogen peroxide reduction using a robust, inexpensive, and sensitive method. 测量过氧化氢还原使用稳健，廉价，灵敏的方法。

Journal of Chemical Biology Pub Date : 2012-09-02 eCollection Date: 2012-01-01 DOI: 10.1007/s12154-012-0083-0

Ryan A Hyland, Peter J Rogers, Vincent J Higgins, Simon Myers, Jens R Coorssen

{"title":"Measuring hydrogen peroxide reduction using a robust, inexpensive, and sensitive method.","authors":"Ryan A Hyland, Peter J Rogers, Vincent J Higgins, Simon Myers, Jens R Coorssen","doi":"10.1007/s12154-012-0083-0","DOIUrl":"https://doi.org/10.1007/s12154-012-0083-0","url":null,"abstract":"Here, we report an improved method to analyze antioxidant activity using the europium tetracycline assay developed by Duerkop and Wolfbeis (J Fluor 15(5):755-761, 2005). The europium tetracycline hydrogen peroxide reduction assay (EHRA) accurately measures antioxidant activity based on hydrogen peroxide scavenging. Several known antioxidant compounds were assessed with the EHRA and a stoichiometric relationship between the number of oxidant molecules trapped per molecule of antioxidant was identified. Various extracts of hops were also tested to validate this method for use with natural extracts; water extraction yielded the highest level of antioxidant activity. Hop leaves were shown to be a better source of antioxidants relative to the traditional hop cones. The data also indicate that the EHRA may serve to breach the hydrophilic/lipophilic gap in antioxidant screening as the europium tetracycline probe is effective in many solvents. The EHRA thus provides a robust and inexpensive measure of antioxidant activity. ","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"5 4","pages":"143-50"},"PeriodicalIF":0.0,"publicationDate":"2012-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-012-0083-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31700762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

The nuclear membrane as a lipid 'sink'-linking cell cycle progression to lipid synthesis. 核膜作为脂质“汇”-连接细胞周期进程到脂质合成。

Journal of Chemical Biology Pub Date : 2012-08-14 eCollection Date: 2012-10-01 DOI: 10.1007/s12154-012-0082-1

Richard D Byrne

引用次数: 1

Acute depletion of plasma membrane phospholipids-dissecting the roles of PtdIns(4)P and PtdIns(4,5)P2. 质膜磷脂的急性耗竭——剖析PtdIns(4)P和PtdIns(4,5)P2的作用。

Journal of Chemical Biology Pub Date : 2012-08-14 eCollection Date: 2012-10-01 DOI: 10.1007/s12154-012-0080-3

Nirmal Jethwa, Natali Fili, Banafshé Larijani

引用次数: 2

Outside of the box: recent news about phospholipid translocation by P4 ATPases. 盒子外:关于P4 atp酶磷脂易位的最新消息。

Journal of Chemical Biology Pub Date : 2012-07-15 Print Date: 2012-10-01 DOI: 10.1007/s12154-012-0078-x

Alex Stone, Patrick Williamson

引用次数: 18

3D-QSAR studies of triazolopyrimidine derivatives of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors using a combination of molecular dynamics, docking, and genetic algorithm-based methods. 采用分子动力学、对接和基于遗传算法的方法，对恶性疟原虫二氢烟酸脱氢酶抑制剂的三唑并嘧啶衍生物进行 3D-QSAR 研究。

Journal of Chemical Biology Pub Date : 2012-07-01 Epub Date: 2012-02-05 DOI: 10.1007/s12154-012-0072-3

Priyanka Shah, Sumit Kumar, Sunita Tiwari, Mohammad Imran Siddiqi

{"title":"3D-QSAR studies of triazolopyrimidine derivatives of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors using a combination of molecular dynamics, docking, and genetic algorithm-based methods.","authors":"Priyanka Shah, Sumit Kumar, Sunita Tiwari, Mohammad Imran Siddiqi","doi":"10.1007/s12154-012-0072-3","DOIUrl":"10.1007/s12154-012-0072-3","url":null,"abstract":"A series of 35 triazolopyrimidine analogues reported as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors were optimized using quantum mechanics methods, and their binding conformations were studied by docking and 3D quantitative structure-activity relationship studies. Genetic algorithm-based criteria was adopted for selection of training and test sets while maintaining structural diversity of training and test sets, which is also very crucial for model development and validation. Both the comparative molecular field analyses ([Formula: see text], [Formula: see text]) and comparative molecular similarity indices analyses ([Formula: see text], [Formula: see text]) show excellent correlation and high predictive power. Furthermore, molecular dynamics simulations were performed to explore the binding mode of the two of the most active compounds of the series, 10 and 14. Harmonization in the two simulation results validate the analysis and therefore applicability of docking parameters based on crystallographic conformation of compound 14 bound to receptor molecule. This work provides useful information about the inhibition mechanism of this class of molecules and will assist in the design of more potent inhibitors of PfDHODH.","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"5 3","pages":"91-103"},"PeriodicalIF":0.0,"publicationDate":"2012-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3375378/pdf/12154_2012_Article_72.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31215158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

JOCB Bulletin. JOCB公告。

Journal of Chemical Biology Pub Date : 2012-06-07 Print Date: 2012-07-01 DOI: 10.1007/s12154-012-0077-y

引用次数: 0

Spectroscopic investigations on the interactions of potent platinum(II) anticancer agents with bovine serum albumin. 强效铂(II)抗癌剂与牛血清白蛋白相互作用的光谱研究。

Journal of Chemical Biology Pub Date : 2012-05-11 Print Date: 2012-07-01 DOI: 10.1007/s12154-012-0074-1

Anwen M Krause-Heuer, William S Price, Janice R Aldrich-Wright

{"title":"Spectroscopic investigations on the interactions of potent platinum(II) anticancer agents with bovine serum albumin.","authors":"Anwen M Krause-Heuer, William S Price, Janice R Aldrich-Wright","doi":"10.1007/s12154-012-0074-1","DOIUrl":"https://doi.org/10.1007/s12154-012-0074-1","url":null,"abstract":"The interactions of three platinum(II)-based anticancer complexes [(5,6-dimethyl-1,10-phenanthroline)(1S,2S-diaminocyclohexane)platinum(II)](2+), [(5,6-dimethyl-1,10-phenanthroline)(1R,2R-diaminocyclohexane)platinum(II)](2+), and [(5,6-dimethyl-1,10-phenanthroline)(1,2-diaminoethane)platinum(II)](2+) (56MEEN) with BSA have been examined by circular dichroism (CD), fluorescence and (1)H pulsed gradient spin-echo (PGSE) diffusion NMR spectroscopy. The number of association constants and sites differed depending upon the spectroscopic method. This may be because each technique monitors different types of interaction/s and/or as a consequence of the different concentration ranges required for each technique. The titration of BSA with the achiral 56MEEN as monitored by CD indicates a reduction in the α-helical nature of the albumin, with the association constant calculated to be ~5 × 10(6) M(-1) for one site. Due to the chiral nature of the other two complexes, their association with albumin was not monitored using CD but was examined using fluorescence and PGSE diffusion NMR. Titration of BSA with any of the three metal complexes resulted in quenching of fluorescence, with the number of association sites calculated to be ~1.1, with an association constant of ~2 × 10(5) M(-1). PGSE diffusion NMR provided insights into interactions occurring with the BSA in its entirety, rather than with individual regions. Metal complex binding sites were estimated (~10 equivalent) from the diffusion data, with the average association constant for all sites ~10(2)-10(3)M(-1). These experiments highlight the information that can be elucidated from complementary spectroscopic techniques and demonstrate the usefulness of PGSE diffusion NMR in monitoring multiple weak binding sites, which is of great importance in studying drug-biomolecule interactions.","PeriodicalId":15296,"journal":{"name":"Journal of Chemical Biology","volume":"5 3","pages":"105-13"},"PeriodicalIF":0.0,"publicationDate":"2012-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12154-012-0074-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31517716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 19

Opposing roles of the oncogene Akt isoforms in tumour progression: is there a dark side to Akt pathway inhibition? 癌基因Akt亚型在肿瘤进展中的相反作用:Akt通路抑制是否存在阴暗面?

Journal of Chemical Biology Pub Date : 2012-04-26 Print Date: 2012-07-01 DOI: 10.1007/s12154-012-0076-z

Selvaraju Veeriah

引用次数: 3

In situ synthesis of fluorescent membrane lipids (ceramides) using click chemistry. 利用点击化学原位合成荧光膜脂(神经酰胺)。

Journal of Chemical Biology Pub Date : 2012-04-18 Print Date: 2012-07-01 DOI: 10.1007/s12154-012-0075-0

María Garrido, José Luis Abad, Alicia Alonso, Félix M Goñi, Antonio Delgado, L-Ruth Montes

引用次数: 9