Physicochemical and biological evaluation of a cinnamamide derivative R,S-(2E)-1-(3-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one (KM-608) for nervous system disorders.

abstract：:The facile synthesis of core-shell magnetic mesoporous silica nanoparticles (Fe3 O4 @mSiO2 NPs) was reported in aqueous phase using cetyltrimethylammonium bromide as a template under alcohol-free conditions. Compared to the conventional synthesis method for core-shell Fe3 O4 @mSiO2 NPs, the approach in this study is r...

journal_title：Chemical biology & drug design

authors： Shao D,Wang Z,Dong WF,Zhang X,Zheng X,Xiao XA,Wang YS,Zhao X,Zhang M,Li J,Huo QS,Chen L

更新日期：2015-12-01 00:00:00

abstract：:Novel, potent non-imidazole histamine H3 receptor antagonists have been prepared and in vitro tested as H3 -receptor antagonists (the electrically evoked contraction of the guinea-pig jejunum). The present compounds contain a 4-hydroxypiperidine core, which behaves as a conformationally restricted version of the 3-ami...

journal_title：Chemical biology & drug design

authors： Masłowska-Lipowicz I,Walczyński K

更新日期：2014-01-01 00:00:00

abstract：:CXCR4 plays a crucial role as a co-receptor with CCR5 for HIV-1 anchoring to mammalian cell membrane and is implicated in cancer metastasis and inflammation. In the current work, we study the relationship of structure and activity of AMD11070 derivatives and other inhibitors of CXCR4 using HQSAR, docking and molecular...

journal_title：Chemical biology & drug design

authors： Zhang C,Du C,Feng Z,Zhu J,Li Y

更新日期：2015-02-01 00:00:00

abstract：:We report our three-dimensional quantitative structure activity relationship (3D-QSAR) studies of the series of anilinopyrimidine derivatives of JNK1 inhibitors. The comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were applied using different alignment method...

journal_title：Chemical biology & drug design

authors： Madhavan T,Chung JY,Kothandan G,Gadhe CG,Cho SJ

更新日期：2012-01-01 00:00:00

abstract：:We previously designed and reported a novel class of drugs, namely hybrid peptides, which are chemically synthesized and composed of a targeted binding peptide and a lytic-type peptide containing cationic amino acid residues that cause cancer cell death. In the present study, we screened for peptides that bind to inte...

journal_title：Chemical biology & drug design

authors： Kurihara R,Horibe T,Shimizu E,Torisawa A,Gaowa A,Kohno M,Kawakami K

更新日期：2019-07-01 00:00:00

abstract：:In the past decade, the discovery, synthesis, and evaluation for hundreds of CD38 covalent and non-covalent inhibitors has been reported sequentially by our group and partners; however, a systematic structure-based guidance is still lacking for rational design of CD38 inhibitor. Here, we carried out a comparative anal...

journal_title：Chemical biology & drug design

authors： Zhang S,Xue X,Zhang L,Zhang L,Liu Z

更新日期：2015-12-01 00:00:00

abstract：:Specific assembly of ribonucleoprotein complexes is essential in controlling various cellular functions including gene regulation. Diverse scaffolds containing proteins or nucleic acids could play key roles in stabilizing specific ribonucleoprotein complexes by enhancing protein-protein or RNA-protein interactions. On...

journal_title：Chemical biology & drug design

authors： Chiu YL,Cao H,Rana TM

更新日期：2007-04-01 00:00:00

abstract：:Frequency of tuberculosis is progressively increasing worldwide. New emerging strains of bacilli that are emerging are resistant to the currently available drugs which make this issue more alarming. In this regard, a series of substituted quinolinyl chalcones, quinolinyl pyrimidines, and pyridines were synthesized and...

journal_title：Chemical biology & drug design

authors： Khunt RC,Khedkar VM,Coutinho EC

更新日期：2013-12-01 00:00:00

abstract：:A novel series of thiophene-containing biaryl amide glucagon receptor (GCGR) antagonists were designed and synthesized. Two compounds of this series, 14f and 14h, exhibited good GCGR binding (IC50  = 6.1 and 4.4 μm, respectively) and cAMP functional activities (IC50  = 4.4 and 14.4 μm, respectively). The possible bind...

journal_title：Chemical biology & drug design

authors： Li J,Feng Y,Li H,Shu S,Dai A,Cai X,Wang J,Yang D,Ma D,Wang MW,Liu H

更新日期：2018-07-01 00:00:00

abstract：:Zinc containing peptidases are widely distributed in nature and have important roles in many physiological processes. M4 family comprises numerous zinc-dependent metallopeptidases that hydrolyze peptide bonds. A large number of these enzymes are implicated as virulence factors of the microorganisms that produce them a...

journal_title：Chemical biology & drug design

authors： Adekoya OA,Sylte I

更新日期：2009-01-01 00:00:00

abstract：:Recent studies have shown an overexpression of γ-tubulin in human glioblastomas and glioblastoma cell lines. As the 2-year survival rate for glioblastoma is very poor, potential benefit exists for discovering novel chemotherapeutic agents that can inhibit γ-tubulin, which is known to form a ring complex that acts as a...

journal_title：Chemical biology & drug design

authors： Friesen DE,Barakat KH,Semenchenko V,Perez-Pineiro R,Fenske BW,Mane J,Wishart DS,Tuszynski JA

更新日期：2012-05-01 00:00:00

abstract：:Current emphasis on structure-based design and other computational methods have encouraged medicinal chemists to learn traditionally 'expert' techniques of molecular modeling, computer-aided drug design, and cheminformatics. Molecular Conceptor (Synergix Ltd) is a multimedia software for teaching three-dimensional dru...

journal_title：Chemical biology & drug design

authors： Cohen C,Fischel O,Cohen E

更新日期：2007-01-01 00:00:00

abstract：:The human immunodeficiency virus (HIV) is a retrovirus which infects T lymphocyte of human body and causes immunodeficiency. Reverse transcriptase inhibitors (RTIs) can inhibit some functions of RT, preventing virus synthesis (double-stranded DNA), so that HIV virus replication can be reduced. Experimental results ind...

journal_title：Chemical biology & drug design

authors： Cai Y,Liu H,Chen H

更新日期：2018-03-01 00:00:00

abstract：:Human DNA methyltransferase1 (hDNMT1) is responsible for preserving DNA methylation patterns that play important regulatory roles in differentiation and development. Misregulation of DNA methylation has thus been linked to many syndromes, life style diseases, and cancers. Developing specific inhibitors of hDNMT1 is an...

journal_title：Chemical biology & drug design

authors： Joshi M,Rajpathak SN,Narwade SC,Deobagkar D

更新日期：2016-07-01 00:00:00

abstract：:Spiropyrans have been extensively investigated because of their thermo- and photochromic characteristics, but their biotherapeutic properties have not been explored much. We report anti-proliferative properties of a novel 3,3'-azadimethylene dinaphthospiropyran 11. Dibenzospiropyrans and dinaphthospiropyrans were synt...

journal_title：Chemical biology & drug design

authors： Lagisetty P,Eeda V,Yadav VR,Nimmo SL,Subramaniam D,Powell DR,Awasthi V

更新日期：2021-02-01 00:00:00

abstract：:A series of novel naphthalimide derivatives with 4-[4-(3,3-diphenylallyl)piperazin-1-yl]benzoic acid as side chain were designed and synthesized. Their antitumor activities were evaluated against a variety of cancer cell lines in vitro. Preliminary results showed that most of the derivatives had cytotoxic activity com...

journal_title：Chemical biology & drug design

authors： Wu A,Mei P,Xu Y,Qian X

更新日期：2011-12-01 00:00:00

abstract：:Human serum albumin (HSA) is the most abundant protein in plasma, which plays a central role in drug pharmacokinetics because most compounds bound to HSA in blood circulation. To understand binding characterization of non-steroidal anti-inflammatory drugs to HSA, we resolved the structure of diclofenac and HSA complex...

journal_title：Chemical biology & drug design

authors： Zhang Y,Lee P,Liang S,Zhou Z,Wu X,Yang F,Liang H

更新日期：2015-11-01 00:00:00

abstract：:Chemotherapy is currently the only effective approach to treat all forms of leishmaniasis. However, its effectiveness is severely limited due to high toxicity, long treatment length, drug resistance, or inadequate mode of administration. As a consequence, there is a need to identify new molecular scaffolds and targets...

journal_title：Chemical biology & drug design

authors： De Luca L,Ferro S,Buemi MR,Monforte AM,Gitto R,Schirmeister T,Maes L,Rescifina A,Micale N

更新日期：2018-09-01 00:00:00

abstract：:A series of N-aryl-2-arylthioacetamide derivatives (2-4) designed as non-nucleoside reverse transcriptase inhibitors was synthesized and evaluated for their inhibitory activity against HIV-1 (IIIB) replication in MT-4 cell cultures. The compounds 2-4 were performed by the reaction of thiols and 2-chloro-N-substituted-...

journal_title：Chemical biology & drug design

authors： Xiaohe Z,Yu Q,Hong Y,Xiuqing S,Rugang Z

更新日期：2010-10-01 00:00:00

abstract：:Among various strategies, the de novo design and in silico approaches are being used to develop the short peptides, models of modified peptides, and mimetics as clinically useful drugs with improved stability and bioavailability. The resulting models will help to isolate the factors behind the folded structure formati...

journal_title：Chemical biology & drug design

authors： Kulkarni AK,Ojha RP

更新日期：2014-11-01 00:00:00

abstract：:Non-secosteroidal ligands are well-known vitamin D receptor (VDR) agonists. In this study, we described a combined QM/MM to define the protein-ligand interaction energy a strong positive correlation in both QM-MM interaction energy and binding free energy against the biological activity. The molecular dynamics simulat...

journal_title：Chemical biology & drug design

authors： Selvaraman N,Selvam SK,Muthusamy K

更新日期：2016-08-01 00:00:00

abstract：:For decades, biomedical and pharmaceutical researchers have worked to devise new and more effective therapeutics to treat diseases affecting the central nervous system. The blood-brain barrier effectively protects the brain, but poses a profound challenge to drug delivery across this barrier. Many traditional drugs ca...

journal_title：Chemical biology & drug design

authors： Stockwell J,Abdi N,Lu X,Maheshwari O,Taghibiglou C

更新日期：2014-05-01 00:00:00

abstract：:Focal adhesion kinase (FAK) is a non-receptor tyrosine kinase located at the extracellular matrix cell adhesion site. This kinase mediates downstream signalling cascades on the cell-extracellular matrix of integrins, cytokine receptors, growth factor receptors and G-protein-coupled receptors. Several studies have sugg...

journal_title：Chemical biology & drug design

authors： Chauhan A,Khan T

更新日期：2020-11-15 00:00:00

abstract：:Previous reports describe modulators of X-linked inhibitor of apoptosis (XIAP)-caspase interaction designed from the AVPI N-terminal peptide sequence of second mitochondria-derived activator of caspase. A fragment-based drug design strategy was initiated to identify therapeutic non-peptidomimetic antagonists of X-link...

journal_title：Chemical biology & drug design

authors： Moore CD,Wu H,Bolaños B,Bergqvist S,Brooun A,Pauly T,Nowlin D

更新日期：2009-09-01 00:00:00

abstract：:A series of new 1-phenylsulphonyl-2-(1-methylindol-3-yl)-benzimidazole derivatives were designed, synthesized and evaluated as potential inhibitors of tubulin polymerization and anthropic cancer cell lines. Among them, compound 33 displayed the most potent tubulin polymerization inhibitory activity in vitro (IC50  = 1...

journal_title：Chemical biology & drug design

authors： Wang YT,Cai XC,Shi TQ,Zhang YL,Wang ZC,Liu CH,Zhu HL

更新日期：2017-07-01 00:00:00

abstract：:"si-RNA-Mediated Knockdown of PDLIM5 Suppresses Gastric Cancer Cell Proliferation in Vitro" by Yanliang Li, Yongsheng Gao, Yue Xu, Xianjun Sun, Xilin Song, Heng Ma & Mingshan Yang.[1] The above article from Chemical Biology & Drug Design, published online on September 12, 2014 in Wiley Online Library (http://onlinelib...

journal_title：Chemical biology & drug design

authors：

更新日期：2018-12-01 00:00:00

abstract：:The tumor suppressor gene, SMAD4, is mutated in approximately 30% of colon cancers. To identify compounds with enhanced potency on cells with a SMAD4-negative context, we combined genomic and cheminformatic analyses of publicly available data relating to the colon cancer cell lines within the NCI60 panel. Two groups o...

journal_title：Chemical biology & drug design

authors： Kaiser C,Meurice N,Gonzales IM,Arora S,Beaudry C,Bisanz KM,Robeson AC,Petit J,Azorsa DO

更新日期：2010-04-01 00:00:00

abstract：:Novel series of 3-O-arylalkylbenzamide and 3-O-arylalkyl-2,6-difluorobenzamide derivatives were synthesized and evaluated for their on-target activity and antibacterial activity. The results indicated that the 3-O-arylalkyl-2,6-difluorobenzamide derivatives possessed much better on-target activity and antibacterial ac...

journal_title：Chemical biology & drug design

authors： Qiang S,Wang C,Venter H,Li X,Wang Y,Guo L,Ma R,Ma S

更新日期：2016-02-01 00:00:00

abstract：:Based on the N-(phenethyl)azole backbone of azole antifungals, we designed 1-[(2-benzyloxy)phenyl]-2-(azol-1-yl)ethanone derivatives 2 and 3, containing benzyloxyphenyl scaffold of croconazole. Also these compounds can be considered as flexible analogs, resulted from C2-C3 disconnection of 3'-chloro-3-imidazolylflavan...

journal_title：Chemical biology & drug design

authors： Emami S,Kazemi-Najafabadi M,Pashangzadeh S,Foroumadi A,Faramarzi MA,Samadi N,Falahati M,Fateh R,Ashrafi-Khozani M

更新日期：2011-12-01 00:00:00

abstract：:A new series of indole appended dihydronaphthalenone hybrid analogs (5a-t) have been synthesized through the Lewis acid catalyzed Michael addition of indoles to the arylidene/hetero arylidene ketones. All the synthesized derivatives are well characterized through the 1 H-NMR, 13 C-NMR, HRMS spectroscopic techniques, c...

journal_title：Chemical biology & drug design

authors： V PK,J R,C T FS,K T A,S Keri R,Varughese S,Balappa Somappa S

更新日期：2017-11-01 00:00:00