A structure-based strategy toward the development of novel candidates for antimycobacterial activity: Synthesis, biological evaluation, and docking study.

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：: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：:One pharmacophore model and three quantitative structure-activity relationship models were developed on a series of benzimidazole and imidazole inhibitors of histone deacetylase 2. The goodness of hit score value of the best pharmacophore model was 0.756, which indicated that it is reliable to be used for virtual scre...

journal_title：Chemical biology & drug design

authors： Xiang Y,Hou Z,Zhang Z

更新日期：2012-05-01 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：: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：:Current emphasis on structure-based design and other computational methods have encouraged medicinal chemists to learn traditionally 'expert' techniques of molecular modeling, computer-aided drug design, and cheminformatics. Molecular Conceptor (Synergix Ltd) is a multimedia software for teaching three-dimensional dru...

journal_title：Chemical biology & drug design

authors： Cohen C,Fischel O,Cohen E

更新日期：2007-01-01 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：: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：:CXCR4 plays a crucial role as a co-receptor with CCR5 for HIV-1 anchoring to mammalian cell membrane and is implicated in cancer metastasis and inflammation. In the current work, we study the relationship of structure and activity of AMD11070 derivatives and other inhibitors of CXCR4 using HQSAR, docking and molecular...

journal_title：Chemical biology & drug design

authors： Zhang C,Du C,Feng Z,Zhu J,Li Y

更新日期：2015-02-01 00:00:00

abstract：:During the past century, several epidemics of human African trypanosomiasis, a deadly disease caused by the protist Trypanosoma brucei, have afflicted sub-Saharan Africa. Over 10 000 new victims are reported each year, with hundreds of thousands more at risk. As current drug treatments are either highly toxic or ineff...

journal_title：Chemical biology & drug design

authors： Friedman AJ,Durrant JD,Pierce LC,McCorvie TJ,Timson DJ,McCammon JA

更新日期：2012-08-01 00:00:00

abstract：:Targeting overexpressed receptors on the cancer cells with radiolabeled peptides has become very important in nuclear oncology in the recent years. Peptides are small and have easy preparation and easy radiolabeling protocol with no side-effect and toxicity. These properties made them a valuable tool for tumor targeti...

journal_title：Chemical biology & drug design

authors： Rezazadeh F,Sadeghzadeh N

更新日期：2019-03-01 00:00:00

abstract：:Anthranilic diamides is a class of insecticides target at ryanodine receptors (RyRs). To discover potent insecticides targeting at RyRs, a series of novel anthranilic diamides with a diacylhydrazine bridge were designed and synthesized. Their insecticidal activities were evaluated and a preliminary structure-activity ...

journal_title：Chemical biology & drug design

authors： Zhou Y,Wei W,Zhu L,Li Y,Li Z

更新日期：2018-11-01 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：:Structure-activity analyses of synthetic disorazole C(1) and eight of its analogs indicate that the presence of a vinyl oxirane moiety or a tetraene sequence is not necessary for potent cytotoxic and antimitotic properties. Using an automated multiparameter fluorescence-based cellular assay to simultaneously probe the...

journal_title：Chemical biology & drug design

authors： Wipf P,Graham TH,Vogt A,Sikorski RP,Ducruet AP,Lazo JS

更新日期：2006-01-01 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：:Somatostatin owes its biological activity to the presence of a well-defined beta-turn centered around the tetrapeptide Phe-Trp-Lys-Thr. We have developed a light-activated beta-turn scaffold, 1, with the ability to template a beta-turn conformation within the somatostatin tetrapeptide only upon photolysis. The three-d...

journal_title：Chemical biology & drug design

authors： Ulysse LG Jr,Chmielewski J

更新日期：2006-02-01 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：:Voltage-gated sodium channel NaV 1.7 serves as an attractive target for chronic pain treatment. Several venom peptides were found to selectively inhibit NaV 1.7 but with intrinsic problems. Among them, Ssm6a, a recently discovered centipede venom peptide, shows the greatest selectivity against NaV 1.7, but dissociates...

journal_title：Chemical biology & drug design

authors： Wang C,Shan B,Wang Q,Xu Q,Zhang H,Lei H

更新日期：2017-06-01 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：:Receptor interacting protein 1 (RIP1) kinase plays an important role in necroptosis, and inhibitors of the RIP1 kinase are thought to have a potential therapeutic value in the treatment of diseases related to necrosis. Herein, we report the structural optimization of a RIP1 kinase inhibitor, 1-(2,4-dichlorobenzyl)-3-n...

journal_title：Chemical biology & drug design

authors： Zou C,Xiong Y,Huang LY,Song CL,Wu XA,Li LL,Yang SY

更新日期：2016-04-01 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：: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：: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 novel series of 5-(2-alkyl/aryl-6-arylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene-1,3-thiazolidinediones were synthesized as possible PPARγ agonists. The structures of these target molecules were established by spectral and analytical data. All the newly synthesized compounds were screened for their in vivo hypog...

journal_title：Chemical biology & drug design

authors： Khazi MI,Belavagi NS,Kim KR,Gong YD,Khazi IA

更新日期：2013-08-01 00:00:00

abstract：:We report our three-dimensional quantitative structure activity relationship (3D-QSAR) studies of the series of anilinopyrimidine derivatives of JNK1 inhibitors. The comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were applied using different alignment method...

journal_title：Chemical biology & drug design

authors： Madhavan T,Chung JY,Kothandan G,Gadhe CG,Cho SJ

更新日期：2012-01-01 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 quinolone imidazoles as new type of antimicrobial agents were synthesized. Most compounds exhibited good bioactivities especially against MRSA even superior to reference drugs. They induced bacterial resistance more slowly than clinical drugs and gave low cytotoxicity to human cells. The pKa values o...

journal_title：Chemical biology & drug design

authors： Zhang L,Kumar KV,Rasheed S,Geng RX,Zhou CH

更新日期：2015-10-01 00:00:00

abstract：:This study describes a hybrid approach of screening substrate analogue inhibitors of histidinol dehydrogenase. Imidazole derivative library of approximately 400 compounds classified using Hierarchical cluster analysis, representative compounds of each class were tested in enzymatic assay and used for the development o...

journal_title：Chemical biology & drug design

authors： Pahwa S,Chavan AG,Jain R,Roy N

更新日期：2008-09-01 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

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