Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Tamara M. Gund"'
Publikováno v:
The Protein Journal
Remdesivir was approved by the U.S.A. Food and Drug administration for emergency use to interfere with the replication of SARS CoV-2 virus (the agent that causes COVID-19) in adults and children hospitalized with severe disease. The crystal structure
Publikováno v:
International Journal of Quantum Chemistry. 36:101-117
We have calculated the net atomic charges and molecular electrostatic potentials of two potent nicotinic acetylcholine receptor agonists, isoarecolone and acetylpiperazine, by three different methods to see how well they correlate and if the simplest
Publikováno v:
Journal of Computational Chemistry. 25:1385-1399
The Comparative Molecular Field Analysis (CoMFA) was developed to investigate a three-dimensional quantitative structure activity relationship (3D-QSAR) model of ligands for the sigma 1 receptor. The starting geometry of sigma-1 receptor ligands was
Publikováno v:
Journal of Mathematical Chemistry. 8:309-325
We have performed molecular modeling studies on four representative sigma receptor specific ligands, (+)haloperidol, (+)3-PPP, (+)pentazocine and progesterone, to develop a model for sigma receptor-ligand binding. The modeling studies have investigat
Publikováno v:
Ciba Foundation Symposium 153-Steroids and Neuronal Activity
The sigma receptor has been suggested to be the mediator of the psychomimetic effects induced by certain benzomorphan opioids and phencyclidine. Potent sigma receptor ligands include haloperidol and other 'atypical' potential antipsychotic drugs. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0eca1ae68e9ffe06de3da37561a49f27
https://doi.org/10.1002/9780470513989.ch6
https://doi.org/10.1002/9780470513989.ch6
Publikováno v:
Journal of molecular graphicsmodelling. 22(3)
We have performed molecular modeling studies on several sigma 1 specific ligands, including PD144418, spipethiane, haloperidol, pentazocine, and others to develop a pharmacophore for sigma 1 receptor-ligand binding, under the assumption that all the
Publikováno v:
Organic Syntheses
Diamantane: Pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane intermediate: Binor-S intermediate: tetrahydro-Binor-S product: diamantane Keywords: annulation, carbocyclic-[M,N]; cyclization, cycloaddition; metal-catalyzed reactions, cobalt; rearrangement
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::126d0629720035d51ed1e03229221994
https://doi.org/10.1002/0471264180.os053.08
https://doi.org/10.1002/0471264180.os053.08
Autor:
George A. Olah, G. K. Surya Prakash, Joseph G. Shih, V. V. Krishnamurthy, Gheorge D. Mateescu, Gao Liang, Gyorgy Sipos, Volker Buss, Tamara M. Gund, Paul v. Ragué Schleyer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2522dbe3fefed8d7eec224544e8c11bb
https://doi.org/10.1142/9789812791405_0044
https://doi.org/10.1142/9789812791405_0044
Autor:
Tamara M. Gund
Publikováno v:
Guidebook on Molecular Modeling in Drug Design
This chapter attempts to demonstrate that molecular modeling, in particular; and simulation, in general, represent complementary alternatives to theory and experiment for solving scientific problems. In attempts to predict the properties of new syste
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efe8a86b371f9f8784bfd34bb65211ce
https://doi.org/10.1016/b978-012178245-0/50004-4
https://doi.org/10.1016/b978-012178245-0/50004-4
Publikováno v:
Journal of molecular graphics. 13(4)
Artemisinin (qinghaosu, QHS) is a promising new antimalarial agent that is effective against drug-resistant strains of malaria. The antimalarial activity of this drug appears to be mediated by an interaction of the drug's endoperoxide bridge with int