Affinity of aporphines for the human 5-HT2A receptor: insights from homology modeling and molecular docking studies.

abstract：:The synthesis and binding affinities of 32 X3Gly4 dual-substitution analogues of the natural opioid heptapeptides deltorphin I and II are reported. A multiple regression QSAR analysis was performed using those results along with literature data for the X3Asp4 and Phe3X4 side chain analogues. Fitting to a three-term po...

journal_title：Bioorganic & medicinal chemistry

authors： Schullery SE,Mohammedshah T,Makhlouf H,Marks EL,Wilenkin BS,Escobar S,Mousigian C,Heyl DL

更新日期：1997-12-01 00:00:00

abstract：:Cannabinoid receptors have been studied extensively in view of their potential functional role in several physiological and pathological processes. For this reason, the search for new potent, selective ligands for subtype CB receptors, CB(1) and CB(2), is still of great importance, in order to investigate their role i...

journal_title：Bioorganic & medicinal chemistry

authors： Ferrarini PL,Calderone V,Cavallini T,Manera C,Saccomanni G,Pani L,Ruiu S,Gessa GL

更新日期：2004-04-15 00:00:00

abstract：:Fluorinated derivatives of 1,4-naphthoquinones are highly potent inhibitors of Cdc25A and Cdc25B phosphatases and growth of tumor cells. Eight new derivatives of polyfluoro-1,4-naphthoquinone were synthesized and their cytotoxicity in human myeloma, human mammary adenocarcinoma, mouse fibroblasts and primary mouse fib...

journal_title：Bioorganic & medicinal chemistry

authors： Zakharova OD,Ovchinnikova LP,Goryunov LI,Troshkova NM,Shteingarts VD,Nevinsky GA

更新日期：2011-01-01 00:00:00

abstract：:Natural compounds are often structurally complex and their synthesis is still highly challenging. The review intends to give an overview on developments in biotechnology and their role for the production of natural products and active agents. In vitro and in vivo methods are presented side by side beginning with rathe...

journal_title：Bioorganic & medicinal chemistry

authors： Classen T,Pietruszka J

更新日期：2018-04-01 00:00:00

abstract：:The Wnt signaling pathway plays a key role in organ and tissue homeostasis, and when dysregulated, can become a major underlying mechanism of disease, particularly cancer. We reported previously that the anthelmintic drug Niclosamide inhibits Wnt/β-catenin signaling and suppresses colon cancer cell growth in vitro and...

journal_title：Bioorganic & medicinal chemistry

authors： Mook RA Jr,Ren XR,Wang J,Piao H,Barak LS,Kim Lyerly H,Chen W

更新日期：2017-03-15 00:00:00

abstract：:Endogenous opioid peptides consist of a conserved amino acid residue of Phe(3) and Phe(4), although their binding modes for opioid receptors have not been elucidated in detail. Endomorphin-2, which is highly selective and specific for the mu opioid receptor, possesses two Phe residues at the consecutive positions 3 an...

journal_title：Bioorganic & medicinal chemistry

authors： Honda T,Shirasu N,Isozaki K,Kawano M,Shigehiro D,Chuman Y,Fujita T,Nose T,Shimohigashi Y

更新日期：2007-06-01 00:00:00

abstract：:The application of glycosyltransferases to the chemoenzymatic synthesis of neoglycosphingolipids and lipid-linked oligosaccharides allows the regio- and stereoselective formation of glycosidic bonds. In our laboratory galactosyl-, sialyl-, and fucosyltransferases have been used to assemble oligosaccharide headgroups d...

journal_title：Bioorganic & medicinal chemistry

authors： Flitsch SL,Goodridge DM,Guilbert B,Revers L,Webberley MC,Wilson IB

更新日期：1994-11-01 00:00:00

abstract：:Novel 2-phenyl-2,5-dihydropyrazolo[4,3-c]quinolin-3-(3H)-ones (PQs) endowed with high affinity for central benzodiazepine receptor (BzR) were synthesized. In particular, 9-fluoro-2-(2-fluorophenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one (2(2)) showed binding affinity in the subnanomolar concentration range and p...

journal_title：Bioorganic & medicinal chemistry

authors： Carotti A,Altomare C,Savini L,Chiasserini L,Pellerano C,Mascia MP,Maciocco E,Busonero F,Mameli M,Biggio G,Sanna E

更新日期：2003-11-17 00:00:00

abstract：:In a continuing effort to explore the 2-methylene-1alpha-hydroxy-19-norvitamin D(3) class of pharmacologically important vitamin D compounds, two novel 2-methylene-19-nor-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactones, GC-3 and HLV, were synthesized and biologically tested. Based on reports of similarly structur...

journal_title：Bioorganic & medicinal chemistry

authors： Chiellini G,Grzywacz P,Plum LA,Barycki R,Clagett-Dame M,DeLuca HF

更新日期：2008-09-15 00:00:00

abstract：:Twenty-eight tetraketones (1-28) with variable substituents at C-7 were synthesized and evaluated as tyrosinase inhibitors. Remarkably compounds 25 (IC(50)=2.06 microM), 11 (IC(50)=2.09 microM), 15 (IC(50)=2.61 microM), and 27 (IC(50)=3.19 microM) were found to be the most active compounds of the series, even better t...

journal_title：Bioorganic & medicinal chemistry

authors： Khan KM,Maharvi GM,Khan MT,Jabbar Shaikh A,Perveen S,Begum S,Choudhary MI

更新日期：2006-01-15 00:00:00

abstract：:For the purpose of rational modification of the TRH molecule, we were pursuing an approach that consists of two steps: (1) 'obligatory' replacement of histidine with glutamine in TRH and (2) the application of conformational constraints for putative bioactive conformation I stabilized by an intramolecular hydrogen bon...

journal_title：Bioorganic & medicinal chemistry

authors： Mazurov AA,Andronati SA,Korotenko TI,Sokolenko NI,Dyadenko AI,Shapiro YE,Gorbatyuk VYa,Voronina TA

更新日期：1997-11-01 00:00:00

abstract：:A series of hairpin oligomers containing benzimidazole (Bi) and imidazopyridine (Ip) rings were synthesized and screened to target 5'-WGGGGW-3', a core sequence in the DNA-binding site of NF-kappaB, a prolific transcription factor important in biology and disease. Five Bi and Ip containing oligomers bound to the 5'-WG...

journal_title：Bioorganic & medicinal chemistry

authors： Chenoweth DM,Poposki JA,Marques MA,Dervan PB

更新日期：2007-01-15 00:00:00

abstract：:As one of our ongoing research project concerning development of a novel anti-influenza virus agent, dihydrofuran-fused perhydrophenanthrenes were derivatized by means of Williamson ether synthesis and Suzuki-Miyaura cross coupling reactions. Newly synthesized compounds were subjected to evaluation of anti-influenza v...

journal_title：Bioorganic & medicinal chemistry

authors： Matsuya Y,Suzuki N,Kobayashi SY,Miyahara T,Ochiai H,Nemoto H

更新日期：2010-02-15 00:00:00

abstract：:During the course of a collaborative screening program, a set of 1-phenyl-4-pyridyl-butadienes was found to exhibit in vitro activity against Eimeria tenella in a cell-based assay. Activity was dependent on the chain length and degree of unsaturation of the linker between the two aryl groups as well as substitution of...

journal_title：Bioorganic & medicinal chemistry

authors： Gage JL,Kirst HA,O'Neil D,David BA,Smith CK 2nd,Naylor SA

更新日期：2003-09-01 00:00:00

abstract：:2-Amino-3-[3-hydroxy-5-(2-thiazolyl)-4-isoxazolyl]propionic acid (1) is a potent AMPA receptor agonist with moderate affinity for native kainic acid (KA) receptors, whereas (S)-E-4-(2,2-dimethylpropylidene)glutamic acid (3) show high affinity for the GluR5 subtype of KA receptors and much lower affinity for the GluR2 ...

journal_title：Bioorganic & medicinal chemistry

authors： Valgeirsson J,Christensen JK,Kristensen AS,Pickering DS,Nielsen B,Fischer CH,Bräuner-Osborne H,Nielsen EØ,Krogsgaard-Larsen P,Madsen U

更新日期：2003-10-01 00:00:00

abstract：:Synthesis and biological evaluation of the novel histamine H(3) receptor ligands is described. Two series of ethers (aliphatic and aromatic) have been prepared by four different methods. Compounds were evaluated for their affinities at recombinant human H(3) receptor stably expressed in CHO cells. The ethers show from...

journal_title：Bioorganic & medicinal chemistry

authors： Łazewska D,Kuder K,Ligneau X,Schwartz JC,Schunack W,Stark H,Kieć-Kononowicz K

更新日期：2008-09-15 00:00:00

abstract：:A novel series of substituted imidazol-5-ones were designed, synthesized and evaluated for in vitro reverse transcriptase (RT) inhibition activity using reverse transcriptase assay kit (Roche, Colorimetric). It has been observed from in vitro screening that newly synthesized compounds possess RT inhibitory activity. D...

journal_title：Bioorganic & medicinal chemistry

authors： Mokale SN,Lokwani D,Shinde DB

更新日期：2012-05-01 00:00:00

abstract：:To elucidate the receptor-bound conformation of glucagon-like peptide-1 (GLP-1), a series of conformationally constrained GLP-1 analogues were synthesized by introducing lactam bridges between Lys(i) and Glu(i)(+4) to form alpha-helices at various positions. The activity and affinity of these analogues to GLP-1 recept...

journal_title：Bioorganic & medicinal chemistry

authors： Murage EN,Schroeder JC,Beinborn M,Ahn JM

更新日期：2008-12-01 00:00:00

abstract：:A hydrolytically stable mimetic of the tumour antigen GM(3) lactone is used to decorate multivalent scaffolds. Two of them positively interfere on melanoma cell adhesion, migration and resistance to apoptosis (anoikis). Notably, their ability to hamper melanoma-cells adhesion and reduce the metastatic potential is enh...

journal_title：Bioorganic & medicinal chemistry

authors： Richichi B,Comito G,Cerofolini L,Gabrielli G,Marra A,Moni L,Pace A,Pasquato L,Chiarugi P,Dondoni A,Toma L,Nativi C

更新日期：2013-05-15 00:00:00

abstract：:Phenylpyrazole insecticides are successful for crop protection and public hygiene by blocking gamma-aminobutyric acid (GABA)-gated chloride channels and glutamate-gated chloride (GluCl) channels. A series of novel phenylpyrazoles containing arylimine or 1-methoxyaryl groups were designed and synthesized. The addition ...

journal_title：Bioorganic & medicinal chemistry

authors： Zhao Q,Sun R,Liu Y,Chen P,Li Y,Yang S,Wang Q

更新日期：2019-11-01 00:00:00

abstract：:Recent reports show that the natural beta-diketone curcumin displays important biological properties regarding the intercellular adhesion molecule-1 (ICAM-1), which plays a critical role in the immune responses and inflammation. In this study the ICAM-1 inhibitory activity of beta-diketone compounds, which are curcumi...

journal_title：Bioorganic & medicinal chemistry

authors： Caruso F,Pettinari C,Marchetti F,Rossi M,Opazo C,Kumar S,Balwani S,Ghosh B

更新日期：2009-09-01 00:00:00

abstract：:Selenium-incorporated fucoses (seleno-fucoses) differing in the position of the seleno-substituent were synthesized and applied to the X-ray structural determination of a carbohydrate-lectin complex using single/multi-wavelength anomalous dispersion (SAD/MAD) phasing. The hydroxyl groups at the C-1, -2, -3 and -4 posi...

journal_title：Bioorganic & medicinal chemistry

authors： Shimabukuro J,Makyio H,Suzuki T,Nishikawa Y,Kawasaki M,Imamura A,Ishida H,Ando H,Kato R,Kiso M

更新日期：2017-02-01 00:00:00

abstract：:The synthesis of several 6,7,8,9,10,11-hexahydro-9-methyl-5,7:9,11-dimethano-5H-benzocyclononen-7-amines is reported. Several of them display low micromolar NMDA receptor antagonist and/or trypanocidal activities. Two compounds are endowed with micromolar anti vesicular stomatitis virus activity, while only one compou...

journal_title：Bioorganic & medicinal chemistry

authors： Torres E,Duque MD,López-Querol M,Taylor MC,Naesens L,Ma C,Pinto LH,Sureda FX,Kelly JM,Vázquez S

更新日期：2012-01-15 00:00:00

abstract：:The connection of two active molecules across an easily released bridge as a new type of potentially active molecule has been studied. The synthesis is based on derivatives that originate from isonicotinoyl hydrazide, pyrazinamide, p-aminosalicylic acid (PAS), ethambutol, and ciprofloxacin. The lipophilicity, hydrolys...

journal_title：Bioorganic & medicinal chemistry

authors： Imramovský A,Polanc S,Vinsová J,Kocevar M,Jampílek J,Recková Z,Kaustová J

更新日期：2007-04-01 00:00:00

abstract：:Purinergic receptors, also known as purinoceptors, are ligand gated membrane ion channels involved in many cellular functions. Among all identified purinergic receptors, P2X₇ subform is unique since it induces the caspase activity, cytokine secretion, and apoptosis. The distribution of P2X₇ receptors, and the need of ...

journal_title：Bioorganic & medicinal chemistry

authors： Mehta N,Kaur M,Singh M,Chand S,Vyas B,Silakari P,Bahia MS,Silakari O

更新日期：2014-01-01 00:00:00

abstract：:A series of N,N-bis(glycityl)amines with promising anti-cancer activity were prepared via the reductive amination of pentoses and hexoses, and subsequently screened for their ability to selectively inhibit the growth of cancerous versus non-cancerous cells. For the first time, we show that this class of compounds poss...

journal_title：Bioorganic & medicinal chemistry

authors： Waghorne CL,Corkran HM,Hunt-Painter AA,Niktab E,Baty JW,Berridge MV,Munkacsi AB,McConnell MJ,Timmer MSM,Stocker BL

更新日期：2016-09-01 00:00:00

abstract：:We developed Wnt/β-catenin inhibitors by identifying 13 number of 3-arylethynyl-substituted pyrido[2,3,-b]pyrazine derivatives that were able to inhibit the Wnt/β-catenin signal pathway and cancer cell proliferation. In the optimization process, a series of 2,3,6-trisubstituted pyrido[2,3,-b]pyrazine core skeletons sh...

journal_title：Bioorganic & medicinal chemistry

authors： Gong YD,Dong MS,Lee SB,Kim N,Bae MS,Kang NS

更新日期：2011-09-15 00:00:00

abstract：:Six novel N(4)-phenylsubstituted-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines and their N(2)-trimethylacetyl substituted analogs were synthesized as receptor tyrosine kinase (RTK) inhibitors. A microwave-mediated Sonogashira reaction was used as a key step for the synthesis of these compounds. Biol...

journal_title：Bioorganic & medicinal chemistry

authors： Gangjee A,Namjoshi OA,Yu J,Ihnat MA,Thorpe JE,Bailey-Downs LC

更新日期：2013-03-01 00:00:00

abstract：:A series of 1-(1-arylethylidene)thiosemicarbazide compounds and their analogues were synthesized and characterized by 1H NMR, MS. Their tyrosinase inhibitory activities were investigated by an assay based on the catalyzing ability of tyrosinase for the oxidation of L-DOPA, comparing with 4-methoxycinnamic acid and arb...

journal_title：Bioorganic & medicinal chemistry

authors： Liu J,Yi W,Wan Y,Ma L,Song H

更新日期：2008-02-01 00:00:00

abstract：:A series of 8-hydroxyquinolin derivatives substituted with (benzo[d][1,2]selenazol-3(2H)-one) at the 2-position were synthesized and evaluated for treatment of Alzheimer's disease. In vitro assays demonstrated that most of the target compounds exhibit significant inhibition of Cu(II)-induced Aβ1-42 aggregation, rapid ...

journal_title：Bioorganic & medicinal chemistry

authors： Wang B,Wang Z,Chen H,Lu CJ,Li X

更新日期：2016-10-01 00:00:00