The mimic of type II aldolases chemistry: asymmetric synthesis of beta-hydroxy ketones by direct aldol reaction.

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：: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：: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：: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：:Screening combinatorial libraries of conformationally constrained peptides against macromolecular targets is utilized in identifying novel drug leads and in developing new reagents for chemical biology. In methods such as phage-display selections, biotinylated macromolecular targets are often immobilized on avidin- an...

journal_title：Chemical biology & drug design

authors： Meyer SC,Gaj T,Ghosh I

更新日期：2006-07-01 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：:Poria cocos is an edible and medicinal fungus that is widely used in Traditional Chinese Medicines as well as in modern applications. Retinoid X receptor (RXR) occupies a central place in nuclear receptor signaling, and a pharmacological RXR-dependent pathway is involved in myeloid cell function. Here, structural info...

journal_title：Chemical biology & drug design

authors： Xu H,Wang Y,Zhao J,Jurutka PW,Huang D,Liu L,Zhang L,Wang S,Chen Y,Cheng S

更新日期：2020-05-01 00:00:00

abstract：:A series of 2-pyrimidinyl-piperazinyl-alkyl derivatives of 1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione has been synthesized in an attempt to discover a new class of psychotropic agents. Compounds were evaluated for their in vitro affinity for serotonin 5-HT1A , 5-HT7 , and phosphodiesterases PDE4 and PDE10. The most pote...

journal_title：Chemical biology & drug design

authors： Zagórska A,Partyka A,Bucki A,Kołaczkowski M,Jastrzębska-Więsek M,Czopek A,Siwek A,Głuch-Lutwin M,Bednarski M,Bajda M,Jończyk J,Piska K,Koczurkiewicz P,Wesołowska A,Pawłowski M

更新日期：2019-04-01 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：: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：:As protein/protein interactions usually trigger signalling processes, inhibitors of those interactions must preclude protein binding without eliciting the signalling process themselves. To accomplish those goals, small molecules need to target those protein residues that contribute the most to binding (binding hotspot...

journal_title：Chemical biology & drug design

authors： Liu Y,Schön A,Freire E

更新日期：2013-01-01 00:00:00

abstract：:GIIA secreted phospholipase A2 (GIIA sPLA2 ) is a potent target for drug discovery. To distinguish the activity level of the inhibitors of GIIA sPLA2 , we built 24 classification models by three machine learning algorithms including support vector machine (SVM), decision tree (DT), and random forest (RF) based on 452 ...

journal_title：Chemical biology & drug design

authors： Zhang S,Li Y,Qin Z,Tu G,Chen G,Yan A

更新日期：2019-05-01 00:00:00

abstract：:During SAR development of previously reported pyrrolocarbazole 1, a potent PARP-1 inhibitor, compound 14, was discovered serendipitously to be a prodrug of compound 1. ...

journal_title：Chemical biology & drug design

authors： Dunn D,Husten J,Aimone LD,Ator MA,Chatterjee S

更新日期：2013-09-01 00:00:00

abstract：:Polyazamacrocycles are currently being studied and used in a variety of applications beyond their traditional place in supramolecular and co-ordination chemistry. This study suggests additional applications of these compounds with particular emphasis on their use as antiproliferative agents that could be potentially u...

journal_title：Chemical biology & drug design

authors： Cruz C,Cairrão E,Lourenço O,Almeida P,Verde I,Queiroz JA

更新日期：2013-04-01 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：:Two diazabicyclic analogues of ranolazine, (S,S,S)-5 and (S,S,R)-5, and their epimeric mixture were synthesized. Furthermore, their vasomotor effects on rat aorta rings precontracted with phenylephrine were analyzed. These compounds showed vasodilating effects significantly greater than ranolazine. The vasodilating ac...

journal_title：Chemical biology & drug design

authors： López-Ortiz M,Monsalvo I,Demare P,Paredes C,Mascher D,Hernández C,Hernández M,Regla I

更新日期：2014-06-01 00:00:00

abstract：:Malfunction or overexpression of ErbB receptors (epidermal growth factor receptors) is associated with occurrence and severity of several types of cancer. Initiation of signal cascades by ErbB2 (also known as human epidermal growth factor receptor 2/neu) in breast cancer has been blocked by monoclonal antibodies such ...

journal_title：Chemical biology & drug design

authors： Jamalan M,Zeinali M,Barzegari Asadabadi E

更新日期：2013-04-01 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：:Forty-eight chromone derivatives were evaluated for their antioxidant activity using 2,2-diphenyl-1-picrylhydrazyl free radical scavenging assay, ferrous ions (Fe(2+) ) chelating activity test, total antioxidant activity test (Ferric thiocyanate and Thiobarbituric acid methods), and total reductive capability (potassi...

journal_title：Chemical biology & drug design

authors： Phosrithong N,Samee W,Nunthanavanit P,Ungwitayatorn J

更新日期：2012-06-01 00:00:00

abstract：:Radiopharmaceuticals are localized in (malignant) tumor tissues by different mechanisms. One of these mechanisms, gelatinase enzyme activity, is associated with poor prognosis in cancer patients and potential targets for tumor imaging. There are some gelatinases to be associated with metastatic potential for tumor ima...

journal_title：Chemical biology & drug design

authors： Altıparmak B,Lambrecht FY,Er O

更新日期：2014-03-01 00:00:00

abstract：:Activity cliffs are formed by structurally similar compounds having large potency differences. Their study is a focal point of SAR analysis. We present a first systematic survey of single- and multitarget activity cliffs contained in currently available bioactive compounds. Approximately 12% of all active compounds we...

journal_title：Chemical biology & drug design

authors： Wassermann AM,Dimova D,Bajorath J

更新日期：2011-08-01 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：:A series of thiouracil derivatives were designed, synthesized and screened for in vitro inhibition of dipeptidyl peptidase IV. The SAR study indicated the influence of substituted chemical modifications on thiouracil scaffold. Compounds 8 (IC(50) = 0.32 μM), 9 (IC(50) = 0.29 μM), and 12 (IC(50) = 0.25 μM) showed excel...

journal_title：Chemical biology & drug design

authors： Sharma M,Singh D,Gupta M

更新日期：2013-02-01 00:00:00

abstract：:A major obstacle in drug delivery is the inability to effectively deliver drugs to their intended biological target without deleterious side-effects. Delivery vehicles such as liposomes can minimize toxic side-effects by shielding the drug from reaction with unintended targets while in systemic circulation. Liposomes ...

journal_title：Chemical biology & drug design

authors： Khan DR,Rezler EM,Lauer-Fields J,Fields GB

更新日期：2008-01-01 00:00:00

abstract：:This work presents synthesis and antimicrobial evaluation of nineteen 6-alkylamino-N-phenylpyrazine-2-carboxamides. Antimycobacterial activity was determined against Mycobacterium tuberculosis H37Rv, M. kansasii and two strains of M. avium. Generally, the antimycobacterial activity increased with prolongation of simpl...

journal_title：Chemical biology & drug design

authors： Servusova-Vanaskova B,Paterova P,Garaj V,Mandikova J,Kunes J,Naesens L,Jílek P,Dolezal M,Zitko J

更新日期：2015-10-01 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：:Electron transport and respiratory pathways are active in both latent and rapidly growing mycobacteria and remain conserved in all mycobacterial species. In mycobacteria, menaquinone is the sole electron carrier responsible for electron transport. Menaquinone biosynthesis pathway is found to be essential for the growt...

journal_title：Chemical biology & drug design

authors： Mathew R,Kruthiventi AK,Prasad JV,Kumar SP,Srinu G,Chatterji D

更新日期：2010-07-01 00:00:00

abstract：:A cinnamamide scaffold has been successfully incorporated in several compounds possessing desirable pharmacological activities in central and peripheral nervous system such as anticonvulsant, antidepressant, neuroprotective, analgesic, anti-inflammatory, muscle relaxant, and sedative/hypnotic properties. R,S-(2E)-1-(3...

journal_title：Chemical biology & drug design

authors： Gunia-Krzyżak A,Żesławska E,Bareyre FM,Nitek W,Waszkielewicz AM,Marona H

更新日期：2017-08-01 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：:The aspartate biosynthetic pathway provides essential metabolites for many important biological functions, including the production of four essential amino acids. As this critical pathway is only present in plants and microbes, any disruptions will be fatal to these organisms. An early pathway enzyme, l-aspartate-β-se...

journal_title：Chemical biology & drug design

authors： Pavlovsky AG,Liu X,Faehnle CR,Potente N,Viola RE

更新日期：2012-01-01 00:00:00