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SAr mechanism

Several naturally occurring triterpenes have been reported to show anti-HIV activity, e.g. betulinic acid, platanic acid, glycyrrhizin, mimusopic acid, gano-deriol and geumonoid.16 20 These active compounds hold the potential to serve as hits or leads for anti-HIV drug development.21,22 The focus of this chapter is bevirimat, the first in a new class of compounds termed HIV maturation inhibitors (Mis). Our discussion covers modification, structure-activity relationship (SAR), mechanism of action studies and clinical trials of bevirimat. [Pg.377]

The distribution of alkamides has been described, but important aspects on their chemistry and pharmacology still remains unknown, for example, a complete understanding on biosynthesis, SARs, mechanism of action, and pharmacokinetic parameters are lacking, especially for Asteraceae, Piperaceae, and Rutaceae alkamides. [Pg.115]

An alternative view (123) is that no single model can adequately explain why any given compound is sweet. This hypothesis derives from several features. First, there is the observation that all carbohydrates having a critical ratio of OH to C are sweet tasting. In other words, there are no stmctural constraints to the sweetness of carbohydrates. Second, not all sweeteners can be fit to the same SAR model. Rather, some fit one, others fit another. Third, studies on the transduction mechanisms of sweetness suggest more than a single mechanism for sweet taste, implying multiple receptors for sweeteners. [Pg.284]

Tracking SARs and Determining Mechanism of Action Data-driven Drug-based Pharmacology... [Pg.199]

The same products are obtained (though in different proportions) when Na or K is omitted but the solution is irradiated with near-UV light.In either case other leaving groups can be used instead of halogens (e.g., NR3, SAr) and the mechanism is the SrnI mechanism. Iron(II) salts have also been used to initiate this reaction. The reaction can also take place without an added initiator Enolate ions of ketones react with Phi in the dark. " In this case, it has been suggested that initiation... [Pg.869]

Richard, A. (1995) Role of Computational Chemistry in Support of Hazard Identification (ID) Mechanism-Based SARs. Toxicology Letters, 79, 115-122. [Pg.39]

Croni MT et al. (2000) Structure-toxicity relationships for aliphatic compounds encompassing a variety of mechanisms of toxic action to Vibrio fischeri. SAR QSAR Environ Res 11(3-4) 301-312... [Pg.98]

Raevsky, O. A., Dearden, J. C. Creation of predictive models of aquatic toxicity of environmental pollutants with different mechanisms of action on the basis of molecular similarity and HYBOT descriptors. SAR QSAR Environ. Res. 2004, 15, 433-448. [Pg.154]

In addition to the Na/Ca exchange mechanism, the sar-colemma also contains a CaATPase that removes calcium from the cytosol. This calcium pump plays only a small role in the extrusion of calcium from the cell during normal activity (Bers, 1991 Barry and Bridge, 1993). However, Kaneko et al. (1989), have shown that the activity of the CaATPase may be inhibited by free radicals and thus the ability of the cell to extrude calcium in the presence of a maintained oxidant stress may be further compromised (Kaneko et al., 1989). [Pg.61]

Hence, for any irreversible enzyme inactivator, we can quantify the effectiveness of inactivation using the second-order rate constant kanJKi. This constant thus becomes the key metric that the medicinal chemist can use in exploring the SAR of enzyme inactivation by a series of compounds. In terms of individual rate constants, the definitions of both nact and A) depend on the details of the mechanisms of inactivation, as will be described below. [Pg.219]

The last step is to optimize the lead compounds. The computational methods in combination with SAR information has proved to be a powerful approach to determine areas on the molecule to expand, contract, or modify. Analogs of the lead compound are ranked using one or all of the following methods 1) qualitative predictions using molecular mechanics... [Pg.319]

Guiochon M, Loosfelt H, Lescop P, Sar S, Atger M, Perrot A, Milgrom E (1989) Mechanisms of nuclear localization of the progesterone receptor evidence for interaction between monomers. Cell 57 1147... [Pg.57]

In this chapter, a short introduction to DFT and to its implementation in the so-called ab initio molecular dynamics (AIMD) method will be given first. Then, focusing mainly on our own work, applications of DFT to such fields as the definition of structure-activity relationships (SAR) of bioactive compounds, the interpretation of the mechanism of enzyme-catalyzed reactions, and the study of the physicochemical properties of transition metal complexes will be reviewed. Where possible, a case study will be examined, and other applications will be described in less detail. [Pg.42]


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See also in sourсe #XX -- [ Pg.960 ]




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