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Publikationer i urvalet

29 träffar

Bibliografisk träff 2024-01-13

Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnel.

Zhang SM, Paulin CBJ, Shu H, Yagüe-Capilla M, Michel M, Marttila P, Ortis F, Bwanika HC, Dirks C, Venkatram RP, Wiita E, Jemth AS, Almlöf I, Loseva O, Hormann FM, Koolmeister T, Linde E, Lee S, Llona-Minguez S, Haraldsson M, Axelsson H, Strömberg K, Homan EJ, Scobie M, Lundbäck T, Helleday T, Rudd SG.

iScience · research-article; journal article · DOI 10.1016/j.isci.2024.108907

Bibliografisk träff 2023-07-19

A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.

Sutherland JJ, Yonchev D, Fekete A, Urban L.

Nat Commun · research support, non-u.s. gov't; research-article; journal article · DOI 10.1038/s41467-023-40064-9

Bibliografisk träff 2022-07-14

Discovery of potent ebola entry inhibitors with (3S,4aS,8aS)-2-(3-amino-2-hydroxypropyl) decahydroisoquinoline-3-carboxamide scaffold.

Han S, Li H, Chen W, Yang L, Tong X, Zuo J, Hu Y.

Eur J Med Chem · journal article · DOI 10.1016/j.ejmech.2022.114608

Bibliografisk träff 2021-06-19

Potential pharmacological strategies targeting the Niemann-Pick C1 receptor and Ebola virus glycoprotein interaction.

Morales-Tenorio M, Ginex T, Cuesta-Geijo MÁ, Campillo NE, Muñoz-Fontela C, Alonso C, Delgado R, Gil C.

Eur J Med Chem · review; journal article · DOI 10.1016/j.ejmech.2021.113654

Bibliografisk träff 2020-12-24

Discovery of PIPE-359, a Brain-Penetrant, Selective M<sub>1</sub> Receptor Antagonist with Robust Efficacy in Murine MOG-EAE.

Schrader TO, Xiong Y, Lorenzana AO, Broadhead A, Stebbins KJ, Poon MM, Baccei C, Lorrain DS.

ACS Med Chem Lett · rapid-communication; journal article · DOI 10.1021/acsmedchemlett.0c00626

Bibliografisk träff 2016-06-30

Development of a cell viability assay to assess drug metabolite structure-toxicity relationships.

Rana P, Will Y, Nadanaciva S, Jones LH.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2016.06.088

Bibliografisk träff 2016-03-03

DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.

Chen M, Suzuki A, Thakkar S, Yu K, Hu C, Tong W.

Drug Discov Today · review; journal article · DOI 10.1016/j.drudis.2016.02.015

Bibliografisk träff 2012-09-07

Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.

Warner DJ, Chen H, Cantin LD, Kenna JG, Stahl S, Walker CL, Noeske T.

Drug Metab Dispos · journal article · DOI 10.1124/dmd.112.047068

Bibliografisk träff 2011-12-15

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W.

PLoS Comput Biol · research support, u.s. gov't, p.h.s.; research-article; journal article · DOI 10.1371/journal.pcbi.1002310

Bibliografisk träff 2011-05-20

FDA-approved drug labeling for the study of drug-induced liver injury.

Chen M, Vijay V, Shi Q, Liu Z, Fang H, Tong W.

Drug Discov Today · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1016/j.drudis.2011.05.007

Bibliografisk träff 2010-06-14

Image-based high-throughput drug screening targeting the intracellular stage of Trypanosoma cruzi, the agent of Chagas' disease.

Engel JC, Ang KK, Chen S, Arkin MR, McKerrow JH, Doyle PS.

Antimicrob Agents Chemother · research support, non-u.s. gov't; research-article; evaluation study; journal article; research support, n.i.h., extramural · DOI 10.1128/aac.01777-09

Bibliografisk träff 2009-04-11

3D-QSAR study of 8-azabicyclo[3.2.1] octane analogs antagonists of cholinergic receptor.

Verma SM, Razdan BK, Sasmal D.

Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2009.03.164

Bibliografisk träff 2008-01-01

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Kruhlak NL, Choi SS, Contrera JF, Weaver JL, Willard JM, Hastings KL, Sancilio LF.

Toxicol Mech Methods · journal article · DOI 10.1080/15376510701857262

Bibliografisk träff 2007-11-21

Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.

Kornhuber J, Tripal P, Reichel M, Terfloth L, Bleich S, Wiltfang J, Gulbins E.

J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm070524a

Bibliografisk träff 2005-05-01

Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter.

Simoni D, Rossi M, Bertolasi V, Roberti M, Pizzirani D, Rondanin R, Baruchello R, Invidiata FP, Tolomeo M, Grimaudo S, Merighi S, Varani K, Gessi S, Borea PA, Marino S, Cavallini S, Bianchi C, Siniscalchi A.

J Med Chem · journal article · DOI 10.1021/jm0490235

Bibliografisk träff 2004-12-01

Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.

Matthews EJ, Kruhlak NL, Weaver JL, Benz RD, Contrera JF.

Curr Drug Discov Technol · journal article · DOI 10.2174/1570163043334794

Bibliografisk träff 2004-01-01

Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody.

Paula S, Tabet MR, Farr CD, Norman AB, Ball WJ.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm030351z

Bibliografisk träff 2003-08-01

Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity.

Bruno-Blanch L, Gálvez J, García-Domenech R.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/s0960-894x(03)00535-3

Bibliografisk träff 2003-04-01

Synthesis and pharmacology of site specific cocaine abuse treatment agents: 8-substituted isotropane (3-azabicyclo[3.2.1]octane) dopamine uptake inhibitors.

Kim DI, Schweri MM, Deutsch HM.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm020410t

Bibliografisk träff 2001-11-01

Synthesis and biological evaluation of tropane-like 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine (GBR 12909) analogues.

Zhang Y, Joseph DB, Bowen WD, Flippen-Anderson JL, Dersch CM, Rothman RB, Jacobson AE, Rice KC.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, u.s. gov't, non-p.h.s.; journal article · DOI 10.1021/jm0101592

Bibliografisk träff 2001-03-01

Effects of two-carbon bridge region methoxylation of benztropine: discovery of novel chiral ligands for the dopamine transporter.

Simoni D, Roberti M, Rondanin R, Baruchello R, Rossi M, Invidiata FP, Merighi S, Varani K, Gessi S, Borea PA, Marino S, Cavallini S, Bianchi C, Siniscalchi A.

Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/s0960-894x(01)00068-3

Bibliografisk träff 2000-11-01

2D QSAR modeling and preliminary database searching for dopamine transporter inhibitors using genetic algorithm variable selection of Molconn Z descriptors.

Hoffman BT, Kopajtic T, Katz JL, Newman AH.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm990472s

Bibliografisk träff 1999-09-01

CoMFA study of novel phenyl ring-substituted 3alpha-(diphenylmethoxy)tropane analogues at the dopamine transporter.

Newman AH, Izenwasser S, Robarge MJ, Kline RH.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, non-u.s. gov't; journal article · DOI 10.1021/jm980701v

Bibliografisk träff 1997-03-01

3'-Chloro-3 alpha-(diphenylmethoxy)tropane but not 4'-chloro-3 alpha-(diphenylmethoxy)tropane produces a cocaine-like behavioral profile.

Kline RH, Izenwasser S, Katz JL, Joseph DB, Bowen WD, Newman AH.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm950782k

Bibliografisk träff 1996-01-01

2-Carbomethoxy-3-(diarylmethoxy)-1 alpha H, 5 alpha H-tropane analogs: synthesis and inhibition of binding at the dopamine transporter and comparison with piperazines of the GBR series.

Meltzer PC, Liang AY, Madras BK.

J Med Chem · comparative study; research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm950463t

Bibliografisk träff 1995-09-01

Novel 4'-substituted and 4',4"-disubstituted 3 alpha-(diphenylmethoxy)tropane analogs as potent and selective dopamine uptake inhibitors.

Newman AH, Kline RH, Allen AC, Izenwasser S, George C, Katz JL.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm00020a006

Bibliografisk träff 1994-07-01

Novel 3 alpha-(diphenylmethoxy)tropane analogs: potent dopamine uptake inhibitors without cocaine-like behavioral profiles.

Newman AH, Allen AC, Izenwasser S, Katz JL.

J Med Chem · research support, u.s. gov't, p.h.s.; journal article · DOI 10.1021/jm00041a002

Bibliografisk träff 1994-06-01

The discovery of an unusually selective and novel cocaine analog: difluoropine. Synthesis and inhibition of binding at cocaine recognition sites.

Meltzer PC, Liang AY, Madras BK.

J Med Chem · research support, u.s. gov't, p.h.s.; research support, non-u.s. gov't; journal article · DOI 10.1021/jm00039a014

Bibliografisk träff 1984-12-01

Functional group contributions to drug-receptor interactions.

Andrews PR, Craik DJ, Martin JL.

J Med Chem · comparative study; journal article · DOI 10.1021/jm00378a021