Antihypertensive (2-aminoethyl)thiourea derivatives. 2.

abstract：:A comprehensive herbal medicine information system for cancer (CHMIS-C) has been developed. The current version of the database integrates information on more than 200 anticancer herbal recipes that have been used for the treatment of different types of cancer in clinic, 900 individual ingredients, and 8500 small orga...

journal_title：Journal of medicinal chemistry

authors： Fang X,Shao L,Zhang H,Wang S

更新日期：2005-03-10 00:00:00

abstract：:A variety of dicarboxylic acid linkers introduced between the alpha-amino group of Pro(6) and the -amino group of Lys(10) of the cyclic lactam alpha-melanocyte-stimulating hormone (alpha-MSH)-derived Pro(6)-D-Phe(7)/D-Nal(2')(7)-Arg(8)-Trp(9)-Lys(10)-NH2 pentapeptide template lead to nanomolar range and selective hMC3...

journal_title：Journal of medicinal chemistry

authors： Mayorov AV,Cai M,Palmer ES,Dedek MM,Cain JP,Van Scoy AR,Tan B,Vagner J,Trivedi D,Hruby VJ

更新日期：2008-01-24 00:00:00

abstract：:Kadsurenone, a specific receptor antagonist of platelet-activating factor (PAF), and its analogues were prepared from derivatives of cinnamyl alcohol and (allyloxy)phenol. Racemic kadsurenone, resolvable by a Chiralpak column at low temperatures, has an IC50 value of 2 X 10(-7) M, which is about 50% of the activity of...

journal_title：Journal of medicinal chemistry

authors： Ponpipom MM,Bugianesi RL,Brooker DR,Yue BZ,Hwang SB,Shen TY

更新日期：1987-01-01 00:00:00

abstract：:The first synthesis of the tamoxifen metabolite norendoxifen is reported. This included syntheses of (E)-norendoxifen, (Z)-norendoxifen, and (E,Z)-norendoxifen isomers. (Z)-Norendoxifen displayed affinity for aromatase (Ki 442 nM), estrogen receptor-α (EC50 17 nM), and estrogen receptor-β (EC50 27.5 nM), while the cor...

journal_title：Journal of medicinal chemistry

authors： Lv W,Liu J,Lu D,Flockhart DA,Cushman M

更新日期：2013-06-13 00:00:00

abstract：:A series of coumarins and the corresponding 2-thioxocoumarines were prepared and tested for their inhibition profiles against four physiologically relevant human carbonic anhydrases (hCAs, EC 4.2.1.1), isoforms hCA I, II, IX, and XII. The X-ray crystal structure of 6-hydroxy-2-thioxocoumarin bound to hCA II revealed a...

journal_title：Journal of medicinal chemistry

authors： Ferraroni M,Carta F,Scozzafava A,Supuran CT

更新日期：2016-01-14 00:00:00

abstract：:As a continuation of our efforts to develop innovative ligands for D(3), 5-HT(1A), and 5-HT(2A) receptors with low propensity to block hERG channels, we propose a series bishetero(homo)arylpiperazines 5a-m as novel and potent multifunctional ligands characterized by low occupancy at D(2) and 5-HT(2C) receptors. ...

journal_title：Journal of medicinal chemistry

authors： Butini S,Campiani G,Franceschini S,Trotta F,Kumar V,Guarino E,Borrelli G,Fiorini I,Novellino E,Fattorusso C,Persico M,Orteca N,Sandager-Nielsen K,Jacobsen TA,Madsen K,Scheel-Kruger J,Gemma S

更新日期：2010-06-24 00:00:00

abstract：:A number of analogues of thapsigargin have been synthesized by alkylating or acylating O-11 and O-12 in the lactol obtained by reducing thapsigargicin. Introduction of alpha-disposed substituents decreased the Ca(2+)-ATPase inhibitory potency of the analogue, whereas the enzyme was more tolerant toward beta-disposed s...

journal_title：Journal of medicinal chemistry

authors： Nielsen SF,Thastrup O,Pedersen R,Olsen CE,Christensen SB

更新日期：1995-01-20 00:00:00

abstract：:The synthesis of a series of N-phosphonalkyl dipeptides 6 is described. Syntheses were devised that allowed the preparation of single diastereoisomers and the assignment of stereochemistry. The compounds were evaluated in vitro for their ability to inhibit the degradation of radiolabeled collagen by purified human lun...

journal_title：Journal of medicinal chemistry

authors： Bird J,De Mello RC,Harper GP,Hunter DJ,Karran EH,Markwell RE,Miles-Williams AJ,Rahman SS,Ward RW

更新日期：1994-01-07 00:00:00

abstract：:N-Methyl-d-aspartate (NMDA) receptor dysfunction has been linked to several neuropsychiatric disorders, including Alzheimer's disease, epilepsy, drug addiction, and schizophrenia. A radioligand that could be used with PET to image and quantify human brain NMDA receptors in the activated "open channel" state would be u...

journal_title：Journal of medicinal chemistry

authors： Naumiec GR,Jenko KJ,Zoghbi SS,Innis RB,Cai L,Pike VW

更新日期：2015-12-24 00:00:00

abstract：:The synthesis and gastric antisecretory activities of the delta 4,5-cis, delta 4,5-trans, and 4,5-acetylenic analogues of 15-deoxy-16-hydroxy-16-methyl prostaglandin E1 methyl ester are described. The key step in the preparation of these compounds involved the stereospecific conjugate addition of a cuprate reagent to ...

journal_title：Journal of medicinal chemistry

authors： Collins PW,Dajani EZ,Pappo R,Gasiecki AF,Bianchi RG,Woods EM

更新日期：1983-06-01 00:00:00

abstract：:Substance P (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2) and the C-terminal partial sequences down to the tripeptide were synthesized by a solid-phase method. These peptides were assayed for vasodilator, spasmogenic, and venoconstrictor properties using three preparations, viz. the hind limb blood flow of the dog...

journal_title：Journal of medicinal chemistry

authors： Bury RW,Mashford ML

更新日期：1976-06-01 00:00:00

abstract：:Interleukin-2 inducible T-cell kinase (Itk) plays a role in T-cell functions, and its inhibition potentially represents an attractive intervention point to treat autoimmune and allergic diseases. Herein we describe the discovery of a series of potent and selective novel inhibitors of Itk. These inhibitors were identif...

journal_title：Journal of medicinal chemistry

authors： Charrier JD,Miller A,Kay DP,Brenchley G,Twin HC,Collier PN,Ramaya S,Keily SB,Durrant SJ,Knegtel RM,Tanner AJ,Brown K,Curnock AP,Jimenez JM

更新日期：2011-04-14 00:00:00

abstract：:The endocannabinoid 2-arachidonoylglycerol (2-AG) plays a major role in many physiological processes, and its action is quickly terminated via enzymatic hydrolysis catalyzed by monoglyceride lipase (MGL). Regulating its endogenous level could offer therapeutic opportunities; however, few selective MGL inhibitors have ...

journal_title：Journal of medicinal chemistry

authors： Matuszak N,Muccioli GG,Labar G,Lambert DM

更新日期：2009-12-10 00:00:00

abstract：:A simple pharmacophore point filter has been developed that discriminates between drug-like and nondrug-like chemical matter. It is based on the observation that nondrugs are often underfunctionalized. Therefore, a minimum count of well-defined pharmacophore points is required to pass the filter. The application of th...

journal_title：Journal of medicinal chemistry

authors： Muegge I,Heald SL,Brittelli D

更新日期：2001-06-07 00:00:00

abstract：:This paper reports the synthesis of 4-(3,4,5-trimethoxybenzyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (2) and 2-(3,4-dihydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)propylamine (3). The biological activity of these agents relative to that of trimetoquinol (1) in guinea pig atria and guinea pig trachea is reported. Th...

journal_title：Journal of medicinal chemistry

authors： Kador PF,Venkatraman R,Feller DR,Miller DD

更新日期：1977-07-01 00:00:00

abstract：:2'-Deoxy-2'-isocyano-1-beta-D-arabinofuranosylcytosine (8, NCDAC) has been synthesized as a potential antitumor antimetabolite from a corresponding 2'-azido-2'-deoxy-1-beta-D-arabinofuranosyluracil derivative 2a. Uracil and thymine analogues 6a and 6b of 8 were also prepared. Attempts to synthesize 2'-deoxy-2'-isocyan...

journal_title：Journal of medicinal chemistry

authors： Matsuda A,Dan A,Minakawa N,Tregear SJ,Okazaki S,Sugimoto Y,Sasaki T

更新日期：1993-12-24 00:00:00

abstract：:Closely related analogs of the 5-HT1A receptor agonist cis-(3aR)-(-)-2,3,3a,4,5,9b-hexahydro-3-propyl-1H-benz[e]indole-9- carboxamide (1, U93385) were synthesized and pharmacologically evaluated. 9-Carboxamide analogs with varied nitrogen substitution (R2) were synthesized, and their serotonergic activity was evaluate...

journal_title：Journal of medicinal chemistry

authors： Haadsma-Svensson SR,Svensson K,Duncan N,Smith MW,Lin CH

更新日期：1995-02-17 00:00:00

abstract：:A series of novel 3-quinolinecarboxylic acid derivatives have been prepared and their antibacterial activity evaluated. These derivatives are characterized by fluorine attached to the 6-position and substituted amino groups appended to the 1- and 7-positions. Structure-activity relationship studies indicate that antib...

journal_title：Journal of medicinal chemistry

authors： Wentland MP,Bailey DM,Cornett JB,Dobson RA,Powles RG,Wagner RB

更新日期：1984-09-01 00:00:00

abstract：:New acetamidines structurally related to N-(3-(aminomethyl)benzyl)acetamidine (1, W1400) were designed as inhibitors of inducible nitric oxide synthase (iNOS). Six compounds were found to be selective for iNOS over endothelial nitric oxide synthase (eNOS), and among them, the most active and selective compound was the...

journal_title：Journal of medicinal chemistry

authors： Maccallini C,Patruno A,Besker N,Alì JI,Ammazzalorso A,De Filippis B,Franceschelli S,Giampietro L,Pesce M,Reale M,Tricca ML,Re N,Felaco M,Amoroso R

更新日期：2009-03-12 00:00:00

abstract：:Malaria continues to be a major global health problem, being particularly devastating in the African population under the age of five. Artemisinin-based combination therapies (ACTs) are the first-line treatment recommended by the WHO to treat Plasmodium falciparum malaria, but clinical resistance against them has alre...

journal_title：Journal of medicinal chemistry

authors： Keurulainen L,Vahermo M,Puente-Felipe M,Sandoval-Izquierdo E,Crespo-Fernández B,Guijarro-López L,Huertas-Valentín L,de las Heras-Dueña L,Leino TO,Siiskonen A,Ballell-Pages L,Sanz LM,Castañeda-Casado P,Jiménez-Díaz MB,Martínez

更新日期：2015-06-11 00:00:00

abstract：:Ligands for the CCR1 receptor (MIP-1alpha and RANTES) have been implicated in a number of chronic inflammatory diseases, most notably multiple sclerosis and rheumatoid arthritis. Because these ligands share a common receptor, CCR1, we sought to discover antagonists for this receptor as an approach to treating these di...

journal_title：Journal of medicinal chemistry

authors： Ng HP,May K,Bauman JG,Ghannam A,Islam I,Liang M,Horuk R,Hesselgesser J,Snider RM,Perez HD,Morrissey MM

更新日期：1999-11-04 00:00:00

abstract：:A series of peptidyl alpha-ketoacids and alpha-ketoesters was synthesized and studied as mu-calpain inhibitors. Docking studies revealed that the mu-calpain inhibitory activity of the compounds is influenced by hydrogen bonding interactions and the potential for ionic interaction with active site residues as well as p...

journal_title：Journal of medicinal chemistry

authors： Donkor IO,Assefa H,Liu J

更新日期：2008-07-24 00:00:00

abstract：:Cyclin-dependent kinase 2 (CDK2) drives the progression of cells into the S- and M-phases of the cell cycle. CDK2 activity is largely dispensable for normal development, but it is critically associated with tumor growth in multiple cancer types. Although the role of CDK2 in tumorigenesis has been controversial, emergi...

journal_title：Journal of medicinal chemistry

authors： Tadesse S,Caldon EC,Tilley W,Wang S

更新日期：2019-05-09 00:00:00

abstract：:The conformation of the sodium salt of mycophenolic acid (MPA), a potent inhibitor of inosine monophosphate dehydrogenase (IMPD), derived from 1D DIFNOE and 2D ROESY experiments in water and molecular dynamics (MD) is described. The hexenoic acid side chain conformation consistent with the NMR data was similar to that...

journal_title：Journal of medicinal chemistry

authors： Makara GM,Keserû GM,Kajtár-Peredy M,Anderson WK

更新日期：1996-03-15 00:00:00

abstract：:We present a new feature selection algorithm for structure-activity and structure-property correlation based on particle swarms. Particle swarms explore the search space through a population of individuals that adapt by returning stochastically toward previously successful regions, influenced by the success of their n...

journal_title：Journal of medicinal chemistry

authors： Agrafiotis DK,Cedeño W

更新日期：2002-02-28 00:00:00

abstract：:Overexpression of the HER2 receptor is observed in about 30% of breast and ovarian cancers and is often associated with an unfavorable prognosis. We have recently designed an anti-HER2 peptide (AHNP) based on the structure of the CDR-H3 loop of the anti-HER2 rhumAb 4D5 and showed that this peptide can mimic some funct...

journal_title：Journal of medicinal chemistry

authors： Berezov A,Zhang HT,Greene MI,Murali R

更新日期：2001-08-02 00:00:00

abstract：:Various 2',3'-dideoxy-L-cytidine,2',3'-dideoxy-L-uridine, and 3'-deoxy-L-thymidine analogues have been synthesized and evaluated in vitro as potential anti-HIV and anti-HBV agents. Coupling of 1-O-acetyl-5-O-(tert-butyldimethylsilyl)-2,3-dideoxy-L-ribofuranose (1) with silylated derivatives of 5-fluorocytosine, cytosi...

journal_title：Journal of medicinal chemistry

authors： Lin TS,Luo MZ,Liu MC,Pai SB,Dutschman GE,Cheng YC

更新日期：1994-03-18 00:00:00

abstract：:Analogues of the antimycotic allylamine terbinafine were prepared in which the naphthalene and the tert-butyl-acetylene moieties were preserved, but the spacer between these two groups was varied, and the antifungal activity of the new compounds was evaluated. All modifications of the original spacer such as reduction...

journal_title：Journal of medicinal chemistry

authors： Nussbaumer P,Leitner I,Stütz A

更新日期：1994-03-04 00:00:00

abstract：:As a receptor tyrosine kinase of insulin receptor (IR) subfamily, anaplastic lymphoma kinase (ALK) has been validated to play important roles in various cancers, especially anaplastic large cell lymphoma (ALCL), nonsmall cell lung cancer (NSCLC), and neuroblastomas. Currently, five small-molecule inhibitors of ALK, in...

journal_title：Journal of medicinal chemistry

authors： Kong X,Pan P,Sun H,Xia H,Wang X,Li Y,Hou T

更新日期：2019-12-26 00:00:00

abstract：:Desferrithiocin (DFT, 1) is a very efficient iron chelator when given orally. However, it is severely nephrotoxic. Structure-activity studies with 1 demonstrated that removal of the aromatic nitrogen to provide desazadesferrithiocin (DADFT, 2) and introduction of either a hydroxyl group or a polyether fragment onto th...

journal_title：Journal of medicinal chemistry

authors： Bergeron RJ,Wiegand J,Bharti N,McManis JS

更新日期：2012-08-23 00:00:00