Transport characteristics of endomorphin-2 analogues in brain capillary endothelial cells.

abstract：:Targeting overexpressed receptors on the cancer cells with radiolabeled peptides has become very important in nuclear oncology in the recent years. Peptides are small and have easy preparation and easy radiolabeling protocol with no side-effect and toxicity. These properties made them a valuable tool for tumor targeti...

journal_title：Chemical biology & drug design

authors： Rezazadeh F,Sadeghzadeh N

更新日期：2019-03-01 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：:Experimental evidence suggests that hERG and hEAG potassium channels may serve as important cancer therapy targets because either of the channel blockade or inactivation by different methods leads to inhibition of cancer cells growth and proliferation. However, there is no known hEAG specific blocker, and hERG blockad...

journal_title：Chemical biology & drug design

authors： Șterbuleac D,Maniu CL

更新日期：2016-11-01 00:00:00

abstract：:Heat shock protein 90 is a valuable target for anticancer drugs because of its role in the activation and stabilization of multiple oncogenic signalling proteins. While several compounds inhibit heat shock protein 90 by binding the N-terminal domain, recent studies have proved that the C-terminal domain is important f...

journal_title：Chemical biology & drug design

authors： Sgobba M,Degliesposti G,Ferrari AM,Rastelli G

更新日期：2008-05-01 00:00:00

abstract：:An application of molecular dynamics and molecular mechanics Poisson-Boltzmann surface area techniques to the prediction of protein kinase inhibitor selectivity is presented. A highly active and selective ERK2 inhibitor was placed in equivalent orientations in five different protein kinases (SRC, LCK, GSK3, JNK3 and A...

journal_title：Chemical biology & drug design

authors： Muzzioli E,Del Rio A,Rastelli G

更新日期：2011-08-01 00:00:00

abstract：:The cationic glycolipid IAXO-102, a potent TLR4 antagonist targeting both MD-2 and CD14 co-receptors, has been used as scaffold to design new potential TLR4 modulators and fluorescent labels for the TLR4 receptor complex (membrane TLR4.MD-2 dimer and CD14). The primary amino group of IAXO-102, not involved in direct i...

journal_title：Chemical biology & drug design

authors： Ciaramelli C,Calabrese V,Sestito SE,Pérez-Regidor L,Klett J,Oblak A,Jerala R,Piazza M,Martín-Santamaría S,Peri F

更新日期：2016-08-01 00:00:00

abstract：:The NS5B RNA-dependent RNA polymerase (RdRP) is a promising therapeutic target for developing novel anti-hepatitis C virus (HCV) drugs. In this work, a combined molecular modeling study was performed on a series of 193 5-hydroxy-2H-pyridazin-3-one derivatives as inhibitors of HCV NS5B Polymerase. The best 3D-QSAR mode...

journal_title：Chemical biology & drug design

authors： Yu H,Fang Y,Lu X,Liu Y,Zhang H

更新日期：2014-01-01 00:00:00

abstract：:Ginsenoside compound K (M1) is the active form of major ginsenosides deglycosylated by intestinal bacteria after oral administration. However, M1 was reported to selectively accumulate in liver and transform to fatty acid esters. Ester of M1 was not excreted by bile as M1 was, which means it was accumulated in the liv...

journal_title：Chemical biology & drug design

authors： Hou J,Xue J,Zhao X,Wang Z,Li W,Li X,Zheng Y

更新日期：2018-04-01 00:00:00

abstract：:Interstitial cystitis/painful bladder syndrome is a chronic bladder disorder with epithelial thinning or ulceration, pain, urinary frequency and urgency, for which there is no reliably effective therapy. We previously reported that interstitial cystitis/painful bladder syndrome bladder epithelial cells make a glycopep...

journal_title：Chemical biology & drug design

authors： Keay S,Kaczmarek P,Zhang CO,Koch K,Szekely Z,Barchi JJ Jr,Michejda C

更新日期：2011-06-01 00:00:00

abstract：:Hydrophobization of proteins, such as chemical acylation, has been recognized as an efficient method for improving their membrane permeability. In this research, chicken cystatin, a model protein inhibitor of cysteine proteinases, was acylated with fatty acyl residues of 6-18 carbon atoms. The chemical modification wa...

journal_title：Chemical biology & drug design

authors： Kocevar N,Obermajer N,Kreft S

更新日期：2008-09-01 00:00:00

abstract：:We have synthesized six new congeners of acetamidobenzoxazolone for Translocator Protein [18 kDa, TSPO] imaging. The best in vitro binding affinity (10.8 ± 1.2 nm) for TSPO was found for N-methyl-2-(5-(naphthalen-1-yl)-2-oxobenzo[d]oxazol-3(2H)-yl)-N-phenylacetamide, (NBMP). NBMP was synthesised by Suzuki coupling rea...

journal_title：Chemical biology & drug design

authors： Kumari N,Chadha N,Srivastava P,Mishra LC,Bhagat S,Mishra AK,Tiwari AK

更新日期：2017-10-01 00:00:00

abstract：:The design and evaluation of structural key-type fingerprints is reported that consist of only 10-30 substructures isolated from randomly generated fragment populations of different classes of active compounds. To identify minimal sets of fragments that carry substantial compound class-specific information, fragment f...

journal_title：Chemical biology & drug design

authors： Hu Y,Lounkine E,Batista J,Bajorath J

更新日期：2008-11-01 00:00:00

abstract：:Our previous studies have shown that geniposide plays an essential role in glucose-stimulated insulin secretion from pancreatic β cells and also regulates the metabolism of Aβ and its deposition in neurons. In this study, we reported that insulin deficiency induced significant increase of tau phosphorylation. Administ...

journal_title：Chemical biology & drug design

authors： Zhang Y,Yin F,Liu J,Liu Z

更新日期：2016-03-01 00:00:00

abstract：:Finding pharmaceutically relevant target conformations from an arbitrary set of protein conformations remains a challenge in structure-based virtual screening (SBVS). The growth in the number of available conformations, either experimentally determined or computationally derived, obscures the situation further. While ...

journal_title：Chemical biology & drug design

authors： Akbar R,Jusoh SA,Amaro RE,Helms V

更新日期：2017-05-01 00:00:00

abstract：:Benzimidazole and their metal analogs that can act as multimodal agent and have non-peptidic CCK-B receptor antagonist were synthesized and characterized on the basis of spectroscopic techniques such as FT-IR, NMR, FAB-MS and also evaluated for biologic efficacy. The ligands showed binding to most of the organs, known...

journal_title：Chemical biology & drug design

authors： Agrawal S,Bhatnagar RR,Tiwari A,Srivastava R,Sharma U

更新日期：2013-11-01 00:00:00

abstract：:Endpoint methods using continuum-solvent models are widely used to estimate protein-ligand affinity. A recently developed method, MM/3D-RISM, estimates the solvation energy using statistical mechanics by 3D-RISM. This method is theoretically expected to accurately describe solvation effects and to also be less depende...

journal_title：Chemical biology & drug design

authors： Gohda K

更新日期：2018-10-01 00:00:00

abstract：:A new series of fluoroquinolone-based benzothiazolyl-4-thiazolidinone hybrids has been yielded via sulfated tungstate-promoted highly accelerated N-formylation at a piperazine residue of ciprofloxacin and norfloxacin entities. The formylated fluoroquinolone moieties were then coupled with substituted 2-aminobenzothiaz...

journal_title：Chemical biology & drug design

authors： Patel RV,Park SW

更新日期：2014-07-01 00:00:00

abstract：:Glucokinase (GK) is the key enzyme controlling levels of blood glucose under normal physiological range, and GK activators are emerging class of drug candidates with promising hypoglycaemic activity. The current study was planned to design, synthesize and evaluate novel N-pyridin-2-yl benzamide analogues as allosteric...

journal_title：Chemical biology & drug design

authors： Grewal AS,Kharb R,Prasad DN,Dua JS,Lather V

更新日期：2019-03-01 00:00:00

abstract：:The objectives of this work were to express the EC5 domain of E-cadherin and determine its structural characteristics as well as to evaluate the binding properties of HAV and BLG4 peptides to EC5 using spectroscopic methods. Homophilic interactions of E-cadherins are responsible for cell-cell adhesion in the adherens ...

journal_title：Chemical biology & drug design

authors： Zheng K,Laurence JS,Kuczera K,Verkhivker G,Middaugh CR,Siahaan TJ

更新日期：2009-06-01 00:00:00

abstract：:The present study describes ligand-based pharmacophore modeling of a series of structurally diverse acyl coenzyme A cholesterol acyltransferase inhibitors. Quantitative pharmacophore models were generated using HypoGen module of Discovery Studio 2.1, whereby the best pharmacophore model possessing two hydrophobic, one...

journal_title：Chemical biology & drug design

authors： Chhabria MT,Brahmkshatriya PS,Mahajan BM,Darji UB,Shah GB

更新日期：2012-07-01 00:00:00

abstract：:Coronaviruses comprise a large group of RNA viruses with diverse host specificity. The emergence of highly pathogenic strains like the SARS coronavirus (SARS-CoV), and the discovery of two new coronaviruses, NL-63 and HKU1, corroborates the high rate of mutation and recombination that have enabled them to cross specie...

journal_title：Chemical biology & drug design

authors： Bacha U,Barrila J,Gabelli SB,Kiso Y,Mario Amzel L,Freire E

更新日期：2008-07-01 00:00:00

abstract：:Five N-methyl-N-R-N,N-bis(2-hydroxyethyl) ammonium bromides (R = -benzyl (chloride, BNQAS), -dodecyl (C12QAS), -tetradecyl (C14QAS), -hexadecyl (C16QAS), -octadecyl (C18QAS)) were prepared based on N-methyldiethanolamine (MDEA) and halohydrocarbon. Five QAS were characterized by FTIR, NMR, and MS. BNQAS, C12QAS, C14QA...

journal_title：Chemical biology & drug design

authors： Liu WS,Wang CH,Sun JF,Hou GG,Wang YP,Qu RJ

更新日期：2015-01-01 00:00:00

abstract：:Homocamptothecin is emerging as an important topoisomerase I inhibitor originating in natural product camptothecin. We report the modifications and SAR of homocamptothecin on position C10 to develop potent topoisomerase I inhibitors for anticancer drug discovery. Based on click chemistry, twenty-one 1,2,3-triazole-sub...

journal_title：Chemical biology & drug design

authors： Xu X,Wu Y,Liu W,Sheng C,Yao J,Dong G,Fang K,Li J,Yu Z,Min X,Zhang H,Miao Z,Zhang W

更新日期：2016-09-01 00:00:00

abstract：:CORAL (CORrelations And Logic, http://www.insilico.eu/coral/) is a freeware available on the Internet. This freeware is designed to build up quantitative structure - property/activity relationships. The molecular structure for CORAL should be represented by the simplified molecular input line entry system (SMILES). Op...

journal_title：Chemical biology & drug design

authors： Toropova AP,Toropov AA,Benfenati E,Gini G

更新日期：2012-03-01 00:00:00

abstract：:We report an advanced 'hybrid fingerprint' design concept specifically for the purpose of scaffold hopping. The generation of hybrid fingerprints includes two major steps. In the 'fingerprint reduction' step, bit positions of different types of fingerprints (e.g. substructural and pharmacophore fingerprints) are ranke...

journal_title：Chemical biology & drug design

authors： Nisius B,Bajorath J

更新日期：2010-02-01 00:00:00

abstract：:In this study, novel acridone-1,2,4-oxadiazole-1,2,3-triazole hybrids were designed, synthesized, and evaluated for their acetylcholinesterase and butyrylcholinesterase inhibitory activity. Among various synthesized compounds, 10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)acrid...

journal_title：Chemical biology & drug design

authors： Mohammadi-Khanaposhtani M,Mahdavi M,Saeedi M,Sabourian R,Safavi M,Khanavi M,Foroumadi A,Shafiee A,Akbarzadeh T

更新日期：2015-12-01 00:00:00

abstract：:A series of non-sulfonamide/non-sulfone derived potent 5-HT6 receptor inverse agonists has been disclosed. Representative compound 9 (Ki  = 14 nm) displayed selectivity against a set of family members as well as brain permeability 6 h post-oral administration. In addition, the separated enantiomers of compound 9 displ...

journal_title：Chemical biology & drug design

authors： Hostetler G,Dunn D,McKenna BA,Kopec K,Chatterjee S

更新日期：2014-06-01 00:00:00

abstract：:The emergence of New Delhi metal beta-lactamase (NDM-1)-producing bacteria and their worldwide spread pose great challenges for the treatment of drug-resistant bacterial infections. These bacteria can hydrolyze most β-lactam antibacterials. Unfortunately, there are no clinically useful NDM-1 inhibitors. In the current...

journal_title：Chemical biology & drug design

authors： Shi C,Dong F,Zhao G,Zhu N,Lao X,Zheng H

更新日期：2020-11-01 00:00:00

abstract：:α-Glucosidase is known to catalyze the digestion of carbohydrates and release free glucose into the digestive tract. Protein tyrosine phosphatase 1B (PTP1B) is engaged in the dephosphorylation of the insulin receptor and regulation of insulin sensitivity. Therefore, dual antagonists by targeting both α-glucosidase and...

journal_title：Chemical biology & drug design

authors： Wang MY,Cheng XC,Chen XB,Li Y,Zang LL,Duan YQ,Chen MZ,Yu P,Sun H,Wang RL

更新日期：2018-09-01 00:00:00

abstract：:A variety of novel 3-butyl-2-substituted amino-3H-quinazolin-4-ones were synthesized by reacting the amino group of 3-butyl-2-hydrazino-3H-quinazolin-4-one with various aldehydes and ketones. The title compounds were investigated for analgesic, anti-inflammatory and ulcerogenic index activities. The compound 3-butyl-2...

journal_title：Chemical biology & drug design

authors： Alagarsamy V,Meena S,Ramaseshu KV,Solomon VR,Kumar TD,Thirumurugan K

更新日期：2007-09-01 00:00:00