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Performance of COSMO-RS with Sigma Profiles from Different Model Chemistries
Industrial & Engineering Chemistry Research, 2007In this article, a comparison of the performance of COSMO-SAC and COSMO-RS(Ol), using σ profiles generated by different quantum mechanic programs (Gaussian 03, Turbomole and DMol3) and different model chemistries, with respect to activity coefficients at infinite dilution and vapor−liquid equilibrium data of binary systems, is presented.
Tiancheng Mu +2 more
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A role for sigma binding in the antipsychotic profile of BMY 14802?
NIDA research monograph, 1993BMY 14802 was identified as a potential antipsychotic drug in traditional model systems, and this identification was confirmed in modern behavioral and electrophysiological systems. The drug appears to be atypical as an antipsychotic in its lack of activity in models predictive of the potential to produce extrapyramidal side effects and tardive ...
D P, Taylor +9 more
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NPC 16377, a potent and selective sigma-ligand. II. Behavioral and neuroprotective profile.
The Journal of Pharmacology and Experimental Therapeutics, 19936-[6-(4-Hydroxypiperidinyl)hexyloxy]-3-methylflavone HCI, (NPC 16377), a potent and highly selective sigma-site ligand, was evaluated in tests predictive of antipsychotic and neuroprotective potential and for toxicity. Like haloperidol, clozapine and remoxipride, and the sigma-ligands BMY 14802, ifenprodil and rimcazole, NPC 16377 reversed amphetamine ...
D B, Clissold +9 more
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[Atypical antipsychotic profiles of sigma receptor ligands].
Nihon yakurigaku zasshi. Folia pharmacologica Japonica, 2000This is a review on the recent results of research on sigma-receptor antagonists. NE-100, a selective sigma1-receptor antagonist, shows improvement of abnormal behaviors and cognitive dysfunction induced by phencyclidine (PCP). However, NE-100 does not inhibit dopamine agonist-induced behaviors nor induces catalepsy.
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International Journal of Pharmaceutics, 2018
Solubility parameters have been applied extensively in the chemical and pharmaceutical sciences. Particularly attractive is calculation of solubility parameters based on chemical structure and recently, new in silico methods have been proposed. Thus, screening charge densities of molecular surfaces (i.e.
Andreas Niederquell +2 more
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Solubility parameters have been applied extensively in the chemical and pharmaceutical sciences. Particularly attractive is calculation of solubility parameters based on chemical structure and recently, new in silico methods have been proposed. Thus, screening charge densities of molecular surfaces (i.e.
Andreas Niederquell +2 more
openaire +3 more sources