Physicochemical n-Grams Tool: A tool for protein physicochemical descriptor generation via Chou's 5-step rule.

abstract：:The non-receptor Src tyrosine kinase is known to cooperate with the epidermal growth factor receptor in a mechanism leading to invasion and metastasis of solid tumours. With the purpose of developing agents targeted to both epidermal growth factor receptor and Src or related kinases, we embarked on the design of chime...

journal_title：Chemical biology & drug design

authors： Barchéchath S,Williams C,Saade K,Lauwagie S,Jean-Claude B

更新日期：2009-04-01 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

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：: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：:Utilizing atypical wake-promoting agent modafinil (inactive in both rH(3) and hH(3) binding assays) as a launching pad, a series of sulfinyl- and sulfone-derived H(3) receptor inverse agonists were developed. Brain-permeable compound 27, a potent member of the series displayed excellent selectivity against related fam...

journal_title：Chemical biology & drug design

authors： Dunn D,Raddatz R,Ator MA,Bacon ER,Chatterjee S

更新日期：2013-03-01 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：: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：:Quantum dots (QD) are being evaluated as inorganic nanoparticles for both in vitro and in vivo optical imaging. They are also used as sensors or vehicles for targeted drug delivery combined with optical imaging. In this study, we demonstrated that glutathione-coated Ag2 S QDs (GSH-Ag2 S QDs) act as a substrate analogu...

journal_title：Chemical biology & drug design

authors： Aydemir D,Hashemkhani M,Acar HY,Ulusu NN

更新日期：2019-12-01 00:00:00

abstract：:Src Homology 2 (SH2) domains are approximately 100 amino acid domains that mediate recognition of tyrosine-phosphorylated sites by signalling proteins. Structures of SH2 domains with bound ligands indicate a potentially important role of water in influencing the binding thermodynamics. In this study, we used molecular...

journal_title：Chemical biology & drug design

authors： Geroult S,Hooda M,Virdee S,Waksman G

更新日期：2007-08-01 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：:A novel series of 1-(thiophen-2-yl)-9H-pyrido [3,4-b]indole derivatives were synthesized using DL-tryptophan as starting material. All the compounds were characterized by spectral analysis such as (1) H NMR, Mass, IR, elemental analysis and evaluated for inhibitory potency against HIV-1 replication. Among the reported...

journal_title：Chemical biology & drug design

authors： Ashok P,Lu CL,Chander S,Zheng YT,Murugesan S

更新日期：2015-06-01 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：:The new series of asymmetrical pyrazole curcumin analogues 4a-g were synthesized by using polyethylene glycol (PEG-400) as a green reaction medium and evaluated for their in vivo analgesic and in vitro antioxidant (H2 O2 , DPPH, Ferrous reducing power and Nitric oxide scavenging activity) and anti-inflammatory activit...

journal_title：Chemical biology & drug design

authors： Jadhav SY,Bhosale RB,Shirame SP,Patil SB,Kulkarni SD

更新日期：2015-03-01 00:00:00

abstract：:Micro-organism resistance is an important challenge in modern medicine due to the global uncontrolled use of antibiotics. Natural and synthetic antimicrobial peptides (AMPs) symbolize a new family of antibiotics, which have stimulated research and clinical interest as new therapeutic options for infections. They repre...

journal_title：Chemical biology & drug design

authors： Piotrowska U,Sobczak M,Oledzka E

更新日期：2017-12-01 00:00:00

abstract：:The design, synthesis and utility of fluorescence probes that bind to the DFG-out conformation of p38alpha kinase are described. Probes that demonstrate good affinity for p38alpha, have been identified and one of the probes, PF-04438255, has been successfully used in an high throughput screening (HTS) assay to identif...

journal_title：Chemical biology & drug design

authors： Tecle H,Feru F,Liu H,Kuhn C,Rennie G,Morris M,Shao J,Cheng AC,Gikunju D,Miret J,Coli R,Xi SH,Clugston SL,Low S,Kazmirski S,Ding YH,Cao Q,Johnson TL,Deshmukh GD,DiNitto JP,Wu JC,English JM

更新日期：2009-12-01 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：:We applied a novel molecular descriptor, three-dimensional biologically relevant spectrum (BRS-3D), in subtype selectivity prediction of dopamine receptor (DR) ligands. BRS-3D is a shape similarity profile calculated by superimposing the objective compounds against 300 template ligands from sc-PDB. First, we construct...

journal_title：Chemical biology & drug design

authors： Kuang ZK,Feng SY,Hu B,Wang D,He SB,Kong DX

更新日期：2016-12-01 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 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：:Epstein-Barr virus (EBV) infects more than 90% of the world population. Following primary infection, Epstein-Barr virus persists in an asymptomatic latent state. Occasionally, it may switch to lytic infection. Latent EBV infection has been associated with several diseases, such as Burkitt lymphoma (BL). To date, there...

journal_title：Chemical biology & drug design

authors： Lima RT,Seca H,Palmeira A,Fernandes MX,Castro F,Correia-da-Silva M,Nascimento MS,Sousa E,Pinto M,Vasconcelos MH

更新日期：2013-05-01 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：:Viral infections constantly jeopardize the global public health due to lack of effective antiviral therapeutics. Therefore, there is an imperative need to speed up the drug discovery process to identify novel and efficient drug candidates. In this study, we have developed quantitative structure-activity relationship (...

journal_title：Chemical biology & drug design

authors： Qureshi A,Kaur G,Kumar M

更新日期：2017-01-01 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：: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：:Protein modification can have far-reaching effects. NEDDylation, a protein modification process with the protein NEDD8, stabilizes and modifies how the targeted protein interacts with other proteins. Its role in system regulation makes it a prime therapeutic target, and virtual high-throughput screening has already id...

journal_title：Chemical biology & drug design

authors： Chen JJ,Schmucker LN,Visco DP Jr

更新日期：2019-04-01 00:00:00

abstract：:Combinatorial libraries continue to play a key role in drug discovery. To increase structural diversity, several experimental methods have been developed. However, limited efforts have been performed so far to quantify the diversity of the broadly used diversity-oriented synthetic libraries. Herein, we report a compre...

journal_title：Chemical biology & drug design

authors： López-Vallejo F,Nefzi A,Bender A,Owen JR,Nabney IT,Houghten RA,Medina-Franco JL

更新日期：2011-05-01 00:00:00

abstract：:Previous studies have reported that genome-wide DNA methylation and differentially expressed genes and proteins are closely associated with drug resistance in Mycobacterium tuberculosis (M. tuberculosis). However, no reports have explored such associations in para-aminosalicylic acid (PAS)-resistant M. tuberculosis H3...

journal_title：Chemical biology & drug design

authors： Li HC,Chen T,Yu L,Guo HX,Chen L,Chen YH,Chen M,Zhao J,Yan HM,Zhou L,Wang W

更新日期：2020-01-01 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：: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：: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