Zobrazeno 1 - 10 of 20 pro vyhledávání: '"David A. Demeter"'
1
Discovery of highly insecticidal synthetic spinosyn mimics - CAMD enabled de novo design simplifying a complex natural product
Autor: Thomas C, Sparks, Gary D, Crouse, David A, Demeter, Geno, Samaritoni, Casandra L, McLeod
Publikováno v: Pest management science. 75(2)
Simplifying complex natural products: Computer modeling-based design leads to highly insecticidal, chemically simpler synthetic mimics of the spinosyn natural products that are active in the field. © 2018 Society of Chemical Industry.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::a47bd0d8617079ac96b3b2ea826123f8
https://pubmed.ncbi.nlm.nih.gov/30242953
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3
Conformational analysis of the endogenous μ-opioid agonist endomorphin-1 using NMR spectroscopy and molecular modeling
Autor: M. Germana Paterlini, Allen B. Reitz, David A. Demeter, Gregory C. Leo, David M. Ferguson, Brown Frank K, Brent L. Podlogar
Publikováno v: FEBS Letters. 439:13-20
Endomorphin-1 (Tyr-Pro-Trp-Phe-NH2) is a highly selective and potent agonist of the mu-opioid receptor. To identify structural attributes unique to this opioid peptide and potential sites of recognition, a conformational analysis has been performed u
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b60bdd001294f573911fb726273ffe4d
https://doi.org/10.1016/s0014-5793(98)01202-2
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4
The Local Minima Method (LMM) of Pharmacophore Determination: A Protocol for Predicting the Bioactive Conformation of Small, Conformationally Flexible Molecules
Autor: James J. Knittel, Herschel J. R. Weintraub, David A. Demeter
Publikováno v: Journal of Chemical Information and Computer Sciences. 38:1125-1136
Software has been developed for potential energy surface analysis and the local minima method of pharmacophore determination. LMM is rigorous and systematic and employs multiple conformations which are the local minima from the potential energy surfa
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::803cc63b7a71d4d9c633d862a388764b
https://doi.org/10.1021/ci980404z
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5
Synthesis of Chiral Hydroxylated Quinolizidines via Vinylogous Bischler-Napieralski Nitrilium Ion Cyclizations
Autor: Michael R. Angelastro, Angela L. Marquart, David A. Demeter, Norton P. Peet, Brent L. Podlogar, Edward W. Huber, Herschel J. R. Weintraub
Publikováno v: The Journal of Organic Chemistry. 59:2092-2100
Treatment of the amido esters (9) and (17) with PPSE (polyphosphoric acid trimethylsilyl ester) followed by NaBH 4 in ethanol gave the qui- nolizidinones (11-14) and (19) via a vinylogous Bischler-Napieralski nitrilium ion cyclization-reductive lacta
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2d4ca26b0b6554f4371b9a4b6bb3c2c2
https://doi.org/10.1021/jo00087a026
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6
Adenosine A1 receptor and ligand molecular modeling
Autor: Kenneth A. Jacobson, David A. Demeter, Philip J. M. van Galen, Gunnar Nordvall, Herschel J. R. Weintraub, Norton P. Peet, Mark W. Dudley, Ad P. IJzerman
Publikováno v: Drug Development Research. 28:237-243
This symposium provided a forum for presentations by the relevant groups on ligand design and ligand binding on the adenosine A1 receptor. Agreement appears to exist that the “N6C8” model of ligand binding to the receptor is the preferred mode. A
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::234328f5d3adaa01fd10035293a39284
https://doi.org/10.1002/ddr.430280309
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8
ChemInform Abstract: A Novel Synthesis of Xanthines: Support for a New Binding Mode for Xanthines with Respect to Adenosine at Adenosine Receptors
Autor: Norton P. Peet, Ann Marie L. Ogden, David A. Demeter, Herschel J. R. Weintraub, Elaine C. Meng, Mark W. Dudley, Nelsen L. Lentz, Philippe Bey
Publikováno v: ChemInform. 22
Le nouveau mode de liaison propose est corrobore par des comparaisons de charges atomiques partielles, par une modelisation moleculaire, et une nouvelle synthese des xanthines, permettant l'introduction d'une unite de reconnaisance chirale en positio
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6712632cf7e5497b4f566e1cc7a1c425
https://doi.org/10.1002/chin.199118190
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9
ChemInform Abstract: Synthesis of Chiral Hydroxylated Quinolizidines via Vinylogous Bischler-Napieralski Nitrilium Ion Cyclizations
Autor: Edward W. Huber, Brent L. Podlogar, Angela L. Marquart, Michael R. Angelastro, Norton P. Peet, David A. Demeter, Herschel J. R. Weintraub
Publikováno v: ChemInform. 25
Treatment of the amido esters (9) and (17) with PPSE (polyphosphoric acid trimethylsilyl ester) followed by NaBH 4 in ethanol gave the qui- nolizidinones (11-14) and (19) via a vinylogous Bischler-Napieralski nitrilium ion cyclization-reductive lacta
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f0e22d25a251c061daca5ba4f5ec3519
https://doi.org/10.1002/chin.199439181
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10
Design, synthesis and molecular modeling of 3-acylamino-2- Carboxyindole NMDA receptor glycine-site antagonists
Autor: Bruce M. Baron, David A. Demeter, Ronald C. Tomlinson, Ian A. McDonald, Salituro Francesco G, Herschel J. R. Weintraub
Publikováno v: Bioorganic & Medicinal Chemistry Letters. 1:455-460
The syntheses and molecular modeling of several 3-acylamino-2-carboxyindole antagonists of the glycine binding site associated with the NMDA receptor complex is described. Tertiary amide 8 is a potent antagonist; this result is rationalized by a pref
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2652ec6b831550d1c83cb46e6dafab90
https://doi.org/10.1016/s0960-894x(01)81105-7
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