Reactivity of 9-aminoacridine drug quinacrine with glutathione limits its antiprion activity.

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：:A series of new pyrimidine-pyrazole hybrid molecules were designed as inhibitors of cyclin-dependent kinase 2. Designed compounds were docked using Glide and the compounds showing good score values and encouraging interactions with the residues were selected for synthesis. They were then evaluated using CDK2-CyclinA2 ...

journal_title：Chemical biology & drug design

authors： Vekariya MK,Vekariya RH,Brahmkshatriya PS,Shah NK

更新日期：2018-09-01 00:00:00

abstract：:In an attempt to search for more potent positive inotropic agents, a series of N-(4,5-dihydro-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-2-(substitutedbenzyl-[1,4]diazepan-1-yl)acetamides were synthesized and evaluated for positive inotropic activity by measuring left atrium stroke volume in isolated rabbit heart p...

journal_title：Chemical biology & drug design

authors： Ye BJ,Liu XK,Jiang SM,Cui X,Piao HR

更新日期：2011-01-01 00:00:00

abstract：:A fullerene-isoniazid conjugate has been synthesized by 1, 3 dipolar cycloaddition reaction of fullerene (C(60)) with isonicotinic acid (4-formyl-benzylidene) hydrazide and N-methylglycine. The identity and purity of the compound was confirmed by elemental analysis, (1)H NMR, (13)C NMR and MALDI-TOF mass spectral anal...

journal_title：Chemical biology & drug design

authors： Kumar A,Patel G,Menon SK

更新日期：2009-05-01 00:00:00

abstract：:Chemotherapy against human African trypanosomiasis relies on four drugs that cause frequent and occasionally severe side-effects. Because human African trypanosomiasis is a disease of poor people in Africa, the traditional market-driven pathways to drug development are not available. One potentially rapid and cost-eff...

journal_title：Chemical biology & drug design

authors： Mackey ZB,Baca AM,Mallari JP,Apsel B,Shelat A,Hansell EJ,Chiang PK,Wolff B,Guy KR,Williams J,McKerrow JH

更新日期：2006-05-01 00:00:00

abstract：:Phenol and its congeners are known to induce caspase-mediated apoptosis activity and cytotoxicity on various cancer cell lines. Apoptosis, scavenging of radicals, antioxidant, and pro-oxidant characteristics are primarily responsible for the antitumor activities of phenolic compounds. Quantitative structure-activity r...

journal_title：Chemical biology & drug design

authors： Nandi S,Vracko M,Bagchi MC

更新日期：2007-11-01 00:00:00

abstract：:A family of nanoparticles has been fabricated featuring cationic amino acid-based side chains. This controlled surface modification provides a tool to investigate the effect of various non-covalent interactions at the nanoparticle-DNA interface. The binding affinities of these nanoparticles towards DNA were determined...

journal_title：Chemical biology & drug design

authors： Ghosh PS,Han G,Erdogan B,Rosado O,Krovi SA,Rotello VM

更新日期：2007-07-01 00:00:00

abstract：:Binding to the extracellular matrix, one of the most abundant human protein complexes, significantly affects drug disposition. Specifically, the interactions with extracellular matrix determine the free concentrations of small molecules acting in tissues, including signaling peptides, inhibitors of tissue remodeling e...

journal_title：Chemical biology & drug design

authors： Zhang Y,Lukacova V,Bartus V,Nie X,Sun G,Manivannan E,Ghorpade SR,Jin X,Manyem S,Sibi MP,Cook GR,Balaz S

更新日期：2008-10-01 00:00:00

abstract：:Tubulin inhibition represents an established target in the field of anticancer research, and over the last 20 years, an intensive search for new antimicrotubule agents has occurred. Indeed, in silico models have been presented that might aid the discovery of novel agents. Among these, a 7-point pharmacophore model has...

journal_title：Chemical biology & drug design

authors： Massarotti A,Theeramunkong S,Mesenzani O,Caldarelli A,Genazzani AA,Tron GC

更新日期：2011-12-01 00:00:00

abstract：:GSK3β kinase is a noteworthy target for discovery of the drugs that will be used to treat several diseases. In the effort to identify a new inhibitor lead compound, we utilized thermodynamic integration (TI)-molecular dynamics (MD) simulation and kinase assay to investigate the bindings between GSK3β kinase and five c...

journal_title：Chemical biology & drug design

authors： Hsu CJ,Hsu WC,Lee DJ,Liu AL,Chang CM,Shih HJ,Huang WH,Lee-Chen GJ,Hsieh-Li HM,Lee GC,Sun YC

更新日期：2017-08-01 00:00:00

abstract：:Magnetic albumin nanospheres that incorporate doxorubicin (M-DOX-BSA-NPs) were prepared previously by our research group to develop magnetically responsive drug carrier system. This nanocarrier was synthesized as a drug delivery system for targeted chemotherapy. In this work, cytotoxic effects of doxorubicin (DOX)-loa...

journal_title：Chemical biology & drug design

authors： Zeybek A,Şanlı-Mohamed G,Ak G,Yılmaz H,Şanlıer ŞH

更新日期：2014-07-01 00:00:00

abstract：:The cytochrome P450 isozyme CYP2D6 binds a large variety of drugs, oxidizing many of them, and plays a crucial role in establishing in vivo drug levels, especially in multidrug regimens. The current study aimed to develop reliable predictive models for estimating the CYP2D6 inhibition properties of drug candidates. Qu...

journal_title：Chemical biology & drug design

authors： Saraceno M,Massarelli I,Imbriani M,James TL,Bianucci AM

更新日期：2011-08-01 00:00:00

abstract：:Ligand- and target structure-based methods are widely used in virtual screening, but there is currently no methodology available that fully integrates these different approaches. Herein, we provide an overview of various attempts that have been made to combine ligand- and structure-based computational screening method...

journal_title：Chemical biology & drug design

authors： Tan L,Batista J,Bajorath J

更新日期：2010-09-01 00:00:00

abstract：:N-type voltage-dependent Ca(2+) channels (CaV 2.2) are located at nerve endings in the central and peripheral nervous systems and are strongly associated with the pathological processes of cerebral ischaemia and neuropathic pain. CaV 2.2 blockers such as the ω-conotoxin MVIIA (Prialt) are analgesic and have opioid-spa...

journal_title：Chemical biology & drug design

authors： Mollica A,Costante R,Novellino E,Stefanucci A,Pieretti S,Zador F,Samavati R,Borsodi A,Benyhe S,Vetter I,Lewis RJ

更新日期：2015-08-01 00:00:00

abstract：:Cancer is the leading cause of mortality in the world. The major therapies for cancer treatment are chemotherapy, surgery, and radiation therapy. All these therapies expensive, toxic and show resistance. The plant-derived compounds are considered safe, cost-effective and target cancer through different pathways. In th...

journal_title：Chemical biology & drug design

authors： Ahmad B,Rehman SU,Azizullah A,Khan MF,Din SRU,Ahmad M,Ali A,Tahir N,Azam N,Gamallat Y,Rahman KU,Ali M,Safi M,Khan I,Qamer S,Oh DH

更新日期：2020-12-20 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：:The first example of an inhibitor of the kinase TAK1 that binds in the DFG-out conformation is disclosed. These preliminary studies used kinase-targeted screening and structure-based drug design to create a molecule with dual pharmacological inhibition of p38 and TAK1 that demonstrated significant activity in a cell-b...

journal_title：Chemical biology & drug design

authors： Kilty I,Green MP,Bell AS,Brown DG,Dodd PG,Hewson C,Hughes SJ,Phillips C,Ryckmans T,Smith RT,van Hoorn WP,Cohen P,Jones LH

更新日期：2013-11-01 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

abstract：:Mono- and bis-indolomorphinans were synthesized through a multi-step synthetic approach from the alkaloid, thebaine, to further explore the C-ring SAR (structure-activity relationship) of morphinan scaffold. Both mono-indoles displayed good binding affinity and selectivity for the delta receptor, with compound 6b poss...

journal_title：Chemical biology & drug design

authors： Li F,Yin C,Chen J,Liu J,Xie X,Zhang A

更新日期：2009-10-01 00:00:00

abstract：:Structure-activity relationship (SAR) studies are essential in the generation of peptides with enhanced activity and efficacy as therapeutic agents. In this study, we report a Structure-activity relationship study for a family of mimetic peptides derived from type IV collagen with potent anti-angiogenic properties. Th...

journal_title：Chemical biology & drug design

authors： Rosca EV,Koskimaki JE,Pandey NB,Tamiz AP,Popel AS

更新日期：2012-07-01 00:00:00

abstract：:Major metabolites of dimethylaminoantipyrine have been synthesized using iron ortho-nitrophenylporphyrin chloride as biomimetic catalyst. Reactivity of iron tetrakis-ortho-nitrophenylporphyrin chloride [Fe(TNO2PP)Cl] has been compared with iron tetrakis-pentafluorophenylporphyrin chloride and iron tetrakis-2,6-dichlor...

journal_title：Chemical biology & drug design

authors： Bazin MJ,Shi H,Delaney J,Kline B,Zhu Z,Kuhn C,Berlioz F,Farley KA,Fate G,Lam W,Walker GS,Yu L,Pollastri MP

更新日期：2007-10-01 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：:Unprotected S-acylated cysteine isopeptides containing α-, β- or γ-amino acid units have been synthesized, and their conversion to native hexapeptides by S- to the N-terminus ligations involving 17-, 18- and 19-membered cyclic transition states have been demonstrated both experimentally and computationally to be more ...

journal_title：Chemical biology & drug design

authors： Panda SS,El-Nachef C,Bajaj K,Al-Youbi AO,Oliferenko A,Katritzky AR

更新日期：2012-12-01 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

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：: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 paper is an attempt for unifying two different quinoxaline data sets with a wide range of substituents in 2, 3, 7, and 8 positions having excellent antitubercular activities with a view to developing robust and reliable structure-activity relationships. The merging has been performed for these two sets of ...

journal_title：Chemical biology & drug design

authors： Ghosh P,Vracko M,Chattopadhyay AK,Bagchi MC

更新日期：2008-08-01 00:00:00

abstract：:A diversity of novel 2-aryl-3-heteroaryl-2-ylmethyl-1,3-thiazolidin-4-ones were designed and synthesized by reacting heteroaryl-2-ylmethyl amine with various 2,6-dihalosubstituted benzaldehydes and mercaptoacetic acid. The title compounds were evaluated for human immunodeficiency virus type-1 (HIV-1) reverse transcrip...

journal_title：Chemical biology & drug design

authors： Rawal RK,Tripathi R,Kulkarni S,Paranjape R,Katti SB,Pannecouque C,De Clercq E

更新日期：2008-08-01 00:00:00

abstract：:Bioassay-guided fractionation of Terminalia bentzoe L. leaves methanol extract identified the known triterpene oleanolic acid (1) as its major breast cancer cell migration inhibitor. Further chemical optimization afforded five new (9-12 and 15) and seven known (4-8, 13, and 14) semisynthetic analogues. All compounds w...

journal_title：Chemical biology & drug design

authors： Elsayed HE,Akl MR,Ebrahim HY,Sallam AA,Haggag EG,Kamal AM,El Sayed KA

更新日期：2015-02-01 00:00:00

abstract：:Chronic myeloid leukemia (CML) is a clonal myeloproliferative disorder of the hematopoietic stem cells, characterized at the molecular level by the bcr/abl gene rearrangement. Even though targeting the fusion gene product Bcr-Abl protein is a successful strategy, development of drug resistance and that of drug intoler...

journal_title：Chemical biology & drug design

authors： Parcha P,Sarvagalla S,Madhuri B,Pajaniradje S,Baskaran V,Coumar MS,Rajasekaran B

更新日期：2017-10-01 00:00:00