Preparation, characterization, and in vitro evaluation of isoniazid and rifampicin-loaded archaeosomes.

abstract：:Relationships between ligand binding and the shapes of the binding sites in families of homologous enzymes are investigated by comparing matrices of distances between key binding site atoms. Multiple linear regression is used to help identify key distances that influence ligand binding affinity. In order to illustrate...

journal_title：Chemical biology & drug design

authors： Tanramluk D,Schreyer A,Pitt WR,Blundell TL

更新日期：2009-07-01 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：:According to fused two bioactive moieties together by bonds covalently and available as a new single hybrid entity known as pharmacophore hybridization, a total of 10 targeted uridine-oleanolic acid hybrids were synthesized. Most of these hybrids showed excellent proliferation inhibition against tested Hep-G2, A549, B...

journal_title：Chemical biology & drug design

authors： Cheng KG,Su CH,Huang JY,Liu J,Zheng YT,Chen ZF

更新日期：2016-09-01 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：:CCR3, a G protein-coupled receptor, plays a central role in allergic inflammation and is an important drug target for inflammatory diseases. To understand the structure-function relationship of CCR3 receptor, different computational techniques were employed, which mainly include: (i) homology modeling of CCR3 receptor...

journal_title：Chemical biology & drug design

authors： Jain V,Saravanan P,Arvind A,Mohan CG

更新日期：2011-05-01 00:00:00

abstract：:We synthesized 2-substituted 2H-chromene derivatives from salicylaldehyde using potassium vinylic borates in the presence of secondary amines. Our goal was to generate novel compounds that might modulate transforming growth factor-beta signaling, based on limited rational design. Potassium vinyl trifluoroborates react...

journal_title：Chemical biology & drug design

authors： Torregroza I,Evans T,Das BC

更新日期：2009-03-01 00:00:00

abstract：:An efficient direct aldol reaction has been developed for the synthesis of chiral beta-hydroxy ketone using a combination of C(1)-symmetric chiral prolinamides based on o-phenylenediamine and zinc triflate as catalyst. The reaction was convenient to carry out in aqueous media with up to 98% chemical yields and up to 9...

journal_title：Chemical biology & drug design

authors： Lu Z,Mei H,Han J,Pan Y

更新日期：2010-08-01 00:00:00

abstract：:Heat shock protein 90 (Hsp90) is a prime target for antitumor therapies. The information obtained by molecular dynamics (MD) simulations is combined with NMR data to provide a cross-validated atomic resolution model of the complementary interactions of heat shock protein 90 with a peptidic (shepherdin) and a non-pepti...

journal_title：Chemical biology & drug design

authors： Tomaselli S,Meli M,Plescia J,Zetta L,Altieri DC,Colombo G,Ragona L

更新日期：2010-11-01 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：: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：: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：: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：:High-throughput screening is utilized by pharmaceutical researchers and, increasingly, academic investigators to identify agents that act upon enzymes, receptors, and cellular processes. Screening hits include molecules that specifically bind the target and a greater number of non-specific compounds. It is necessary t...

journal_title：Chemical biology & drug design

authors： Miller JR,Thanabal V,Melnick MM,Lall M,Donovan C,Sarver RW,Lee DY,Ohren J,Emerson D

更新日期：2010-05-01 00:00:00

abstract：:For decades, biomedical and pharmaceutical researchers have worked to devise new and more effective therapeutics to treat diseases affecting the central nervous system. The blood-brain barrier effectively protects the brain, but poses a profound challenge to drug delivery across this barrier. Many traditional drugs ca...

journal_title：Chemical biology & drug design

authors： Stockwell J,Abdi N,Lu X,Maheshwari O,Taghibiglou C

更新日期：2014-05-01 00:00:00

abstract：:A series of novel triazolinones were synthesized and their structures were characterized by (1)H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. Th...

journal_title：Chemical biology & drug design

authors： Wang L,Ma Y,Liu XH,Li YH,Song HB,Li ZM

更新日期：2009-06-01 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：:Three novel series of 2,5-disubstituted indole derivatives were synthesized and evaluated in vitro for their antiproliferative activity against human cancer cells and HIV-1 inhibition activity used as a readout of cellular activity. Most compounds were found to have potent anticancer activity. In particular, 2c and 3b...

journal_title：Chemical biology & drug design

authors： Hu H,Wu J,Ao M,Wang H,Zhou T,Xue Y,Qiu Y,Fang M,Wu Z

更新日期：2016-11-01 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：:Methoxy-substituted chalcones, 3 were obtained using simple, efficient method from 2-naphtylethanone, 1 and aromatic aldehydes, 2. The in vitro cytotoxicity activities of the chalcones against a panel of three human cancer cell lines were explored. The tested compounds were found to possess significant cytotoxic activ...

journal_title：Chemical biology & drug design

authors： Ethiraj KR,Aranjani JM,Khan FR

更新日期：2013-12-01 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：:Aquaporins (AQPs) are a family of membrane proteins that function as channels facilitating water transport in response to osmotic gradients. These play critical roles in several normal physiological and pathological states and are targets for drug discovery. Selective inhibition of the AQP1 water channel may provide a...

journal_title：Chemical biology & drug design

authors： Patil RV,Xu S,van Hoek AN,Rusinko A,Feng Z,May J,Hellberg M,Sharif NA,Wax MB,Irigoyen M,Carr G,Brittain T,Brown P,Colbert D,Kumari S,Varadaraj K,Mitra AK

更新日期：2016-05-01 00:00:00

abstract：:Malaria, mainly caused by Plasmodium falciparum and Plasmodium vivax, has been a growing cause of morbidity and mortality. P. falciparum is more lethal than is P. vivax, but there is a vital need for effective drugs against both species. Geranylgeranyl diphosphate synthase (GGPPS) is an enzyme involved in the biosynth...

journal_title：Chemical biology & drug design

authors： Venkatramani A,Gravina Ricci C,Oldfield E,McCammon JA

更新日期：2018-06-01 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：:Microsomal prostaglandin E synthase-1 (mPGES-1) is the key enzyme for prostaglandin E2 (PGE2) generation during inflammation and is a potential target for designing anti-inflammatory drugs. Potential inhibitors of m-PGES-1 were selected from traditional Chinese medicine (TCM Database@Taiwan) based on the pharmacophore...

journal_title：Chemical biology & drug design

authors： Chen KC,Sun MF,Yang SC,Chang SS,Chen HY,Tsai FJ,Chen CY

更新日期：2011-10-01 00:00:00

abstract：:Because of their poor metabolic stability and limited blood-brain barrier permeability, endomorphins have a low analgesic efficacy when administered systemically. Therefore, it is of great importance to design analogues with improved peptidase resistance and better delivery to the central nervous system. Recently, nov...

journal_title：Chemical biology & drug design

authors： Mallareddy JR,Tóth G,Fazakas C,Molnár J,Nagyőszi P,Lipkowski AW,Krizbai IA,Wilhelm I

更新日期：2012-04-01 00:00:00

abstract：:Physicochemical n-Grams Tool (PnGT) is an open-source standalone software for calculating physicochemical descriptors of protein. PnGT was developed using the Python scripting language and developed the user interface using Tkinter. The software currently calculates 33 physicochemical descriptors along with the sequen...

journal_title：Chemical biology & drug design

authors： Vishnoi S,Garg P,Arora P

更新日期：2020-01-01 00:00:00

abstract：:Alyteserin-2a (ILGKLLSTAAGLLSNL.NH2 ) stimulated the rate of insulin release from BRIN-BD11 clonalβ cells at a concentration of 30 nm (p < 0.05) with a response of 296 ± 26% of basal release at 3 μm (p < 0.001). The insulinotropic actions of analogs containing substitutions by l-lysine, d-lysine, or l-tryptophan at si...

journal_title：Chemical biology & drug design

authors： Ojo OO,Abdel-Wahab YH,Flatt PR,Conlon JM

更新日期：2013-08-01 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：: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：:Receptor-dependent four-dimensional quantitative structure-activity relationship (RD-4D-QSAR) studies were applied on a series of 21 peptides reversible inhibitors of Trypanosoma cruzi trypanothione reductase (TR) (Amino Acids, 20, 2001, 145). The RD-4D-QSAR (J Chem Inform Comp Sci, 43, 2003, 1591) approach can evalua...

journal_title：Chemical biology & drug design

authors： da Rocha Pita SS,Albuquerque MG,Rodrigues CR,Castro HC,Hopfinger AJ

更新日期：2012-05-01 00:00:00