Study of chemical ligation via 17-, 18- and 19-membered cyclic transition states.

abstract：:A series of compounds similar to Pracinostat that contained benzimidazole ring and N-hydroxyacrylamide attached at 5- or 6-position were designed, synthesized, and evaluated as HDAC inhibitors. It was interesting to find that the corresponding derivative 1 with N-hydroxyacrylamide attached at 5-position was a potent H...

journal_title：Chemical biology & drug design

authors： Jia R,Sun P,Zhang Y,Ge Y,Yu N

更新日期：2019-08-01 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：:"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：:In this study, we analyzed a series of rhodanine derivatives, as potential inhibitors of bacterial toxins, namely the proteases anthrax lethal factor and the botulinum neurotoxin type A. Conducting an extensive structure-activity relationship study on rhodanine derivatives, we profiled their selectivity against the tw...

journal_title：Chemical biology & drug design

authors： Johnson SL,Chen LH,Harbach R,Sabet M,Savinov A,Cotton NJ,Strongin A,Guiney D,Pellecchia M

更新日期：2008-02-01 00:00:00

abstract：:In this study, a peptide-drug conjugate was designed and synthesized by connecting a transferrin receptor (TfR)-targeted binding peptide analog BP9a (CAHLHNRS) with doxorubicin (DOX) through N-succinimidyl-3-maleimidopropionate (SMP) as the cross-linker. Confocal laser scanning microscopy results indicated that free D...

journal_title：Chemical biology & drug design

authors： Li S,Zhao H,Fan Y,Zhao G,Wang R,Wen F,Wang J,Wang X,Wang Y,Gao Y

更新日期：2020-01-01 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：:Bisphosphonates (BPs) have been commonly used in the treatment of osteolytic bone lesions, such as osteoporosis and osteogenesis imperfecta. However, serious side-effects can occur during the therapy. To search for novel potent BPs with lower side-effects, a series of imidazole-containing BPs (zoledronic acid [ZOL]; Z...

journal_title：Chemical biology & drug design

authors： Lin J,Peng Y,Liu Q,Li K,Lv G,Seimbille Y,Huang G,Gao F,Qiu L

更新日期：2021-01-01 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：: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：: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：:Dimethoxycurcumin (Dimc), a synthetic analogue of curcumin, that has been reported to exhibit better in vivo stability and anti-tumour activity, was investigated for its interaction with DNA, employing spectroscopic methods based on absorption, fluorescence, circular dichroism (CD), ethidium bromide (EtBr) competitive...

journal_title：Chemical biology & drug design

authors： Kunwar A,Simon E,Singh U,Chittela RK,Sharma D,Sandur SK,Priyadarsini IK

更新日期：2011-04-01 00:00:00

abstract：:PCSK9, a member of the proprotein convertase family, is a key negative regulator of hepatic low-density lipoprotein receptor (LDLR) concentrations in the blood plasma and is associated with the risk of coronary artery disease (CAD). Peptide inhibitors designed to block PCSK9-LDLR interactions could reduce the risk of ...

journal_title：Chemical biology & drug design

authors： Pasam B,Medicherla KM,Rathore RS,Upadhyayula RS

更新日期：2019-12-01 00:00:00

abstract：:Asn-Gly-Arg peptides have been designed as vehicles for the delivery of chemotherapeutics, magnetic resonance imaging contrast agents, and fluorescence labels to tumor cells, and cardiac angiogenic tissue. Specificity is derived via an interaction with aminopeptidase N, also known as CD13, a cell surface receptor that...

journal_title：Chemical biology & drug design

authors： Plesniak LA,Salzameda B,Hinderberger H,Regan E,Kahn J,Mills SA,Teriete P,Yao Y,Jennings P,Marassi F,Adams JA

更新日期：2010-06-01 00:00:00

abstract：:In this study, 3D-pharmacophore models of Aurora B kinase inhibitors have been developed by using HipHop and HypoGen modules in Catalyst software package. The best pharmacophore model, Hypo1, which has the highest correlation coefficient (0.9911), consists of one hydrogen-bond acceptor, one hydrogen-bond donor, one hy...

journal_title：Chemical biology & drug design

authors： Wang HY,Li LL,Cao ZX,Luo SD,Wei YQ,Yang SY

更新日期：2009-01-01 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：:The chemokines and their receptors play a key role in immune and inflammatory responses by promoting recruitment and activation of different subpopulations of leukocytes. The membrane receptor CXCR3 binds three chemokines, CXCL9, CXCL10, and CXCL11, and its involvement is recognized in many inflammatory diseases and c...

journal_title：Chemical biology & drug design

authors： Palladino P,Portella L,Colonna G,Raucci R,Saviano G,Rossi F,Napolitano M,Scala S,Castello G,Costantini S

更新日期：2012-08-01 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

abstract：:π-π interactions are common and important noncovalent interactions that contribute to biochemical molecular interactions, but the tools for the convenient 3D visualization of π-π interactions are lacking. We have developed an open-source and easy-to-use tool for the automated identification and display of π-π stacking...

journal_title：Chemical biology & drug design

authors： Liu Y,Ao X,Wang Q,Wang J,Ge H

更新日期：2018-10-01 00:00:00

abstract：:Selective blockade of the serotonin 5-HT(2A) receptor is a useful therapeutic approach for a number of disorders, including schizophrenia, insomnia and ischaemic heart disease. A series of aporphines were docked into a homology model of the rat 5-HT(2A) receptor using AutoDock. Selected compounds with high in silico b...

journal_title：Chemical biology & drug design

authors： Munusamy V,Yap BK,Buckle MJ,Doughty SW,Chung LY

更新日期：2013-02-01 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 screening of an in-house quinolones library against Mycobacterium tuberculosis (Mtb) H(37) Rv, followed by a first cycle of optimization, yielded 6-hydrogen-8-methyl derivatives endowed with good potency. The antitubercular activity also encompassed the bacteria in a non-replicating state (NRP-TB) with minimum inh...

journal_title：Chemical biology & drug design

authors： Tabarrini O,Sabatini S,Massari S,Pieroni M,Franzblau SG,Cecchetti V

更新日期：2012-11-01 00:00:00

abstract：:We report the first account of a comparative analysis of the binding affinities of nine FDA-approved drugs against subtype B as well as the South African subtype C HIV PR (C-SA). A standardized protocol was used to generate the inhibitor/C-SA PR complexes with the relative positions of the inhibitors taken from the co...

journal_title：Chemical biology & drug design

authors： Ahmed SM,Kruger HG,Govender T,Maguire GE,Sayed Y,Ibrahim MA,Naicker P,Soliman ME

更新日期：2013-02-01 00:00:00

abstract：:Methionine aminopeptidase 1 (MetAP1) is a target for drug discovery against many adversaries and a potential antileishmanial target for its role in N-terminal methionine processing. As an effort towards new inhibitor discovery against methionine aminopeptidase 1 from Leishmania donovani (LdMetAP1), we have synthesized...

journal_title：Chemical biology & drug design

authors： Bhat SY,Bhandari S,Thacker PS,Arifuddin M,Qureshi IA

更新日期：2021-02-01 00:00:00

abstract：:Sensing potentially harmful bitter substances in the oral cavity is achieved by a group of (˜) 25 receptors, named TAS2Rs, which are expressed in specialized sensory cells and recognize individual but overlapping sets of bitter compounds. The receptors differ in their tuning breadths ranging from narrowly to broadly t...

journal_title：Chemical biology & drug design

authors： Karaman R,Nowak S,Di Pizio A,Kitaneh H,Abu-Jaish A,Meyerhof W,Niv MY,Behrens M

更新日期：2016-07-01 00:00:00

abstract：:Ketol-acid reductoisomerase (KARI; EC 1.1.1.86) catalyzes the second common step in branched-chain amino acid biosynthesis. This enzyme is an important target for drug design. Based on the crystal structure of ketol-acid reductoisomerase/N-hydroxy-N-isopropyloxamate (IpOHA) complex, we have carried out high throughput...

journal_title：Chemical biology & drug design

authors： Liu XH,Chen PQ,Wang BL,Dong WL,Li YH,Xie XQ,Li ZM

更新日期：2010-02-01 00:00:00

abstract：:To address the problem of specificity in G-protein coupled receptor (GPCR) drug discovery, there has been tremendous recent interest in allosteric drugs that bind at sites topographically distinct from the orthosteric site. Unfortunately, structure-based drug design of allosteric GPCR ligands has been frustrated by th...

journal_title：Chemical biology & drug design

authors： Ivetac A,McCammon JA

更新日期：2010-09-01 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：: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：:An effective one-pot synthesis of bis(dihydropyrimidinonoe)benzenes using chlorotrimethylsilane (TMSCl) through Biginelli condensation reaction of terephthalic aldehyde, 1,3-dicarbonyl compounds and (thio)urea or guanidine under microwave irradiation conditions is described. Excellent yields of the products and simple...

journal_title：Chemical biology & drug design

authors： Azizian J,Mohammadi MK,Firuzi O,Mirza B,Miri R

更新日期：2010-04-01 00:00:00

abstract：:A series of novel 1,5-benzodiazepine derivatives were rationally designed and synthesized following the principle of the superposition of bioactive substructures by the combination of 1,5-benzodiazepine, pyridine (phenyl), and an ester group. The structures of the target compounds were determined by (1) H NMR, (13) C ...

journal_title：Chemical biology & drug design

authors： An YS,Hao ZF,Zhang XJ,Wang LZ

更新日期：2016-07-01 00:00:00