Agonists structures

Schapira M, Raaka BM, Samuels HH, Abagyan R. In silica discovery of novel retinoic acid receptor agonist structures. BMC Struct Biol 2001 1 1 (7 pages, www.biomedcentral.com/1472-6807/1/1). 

Figure 15.7 Chemical structure of some DA agonists. The structure of DA is shown for comparison and its configuration emphasised in the agonist structure where appropriate...

Honore T, Krogsgaard-Larsen P, Hansen JJ, Lauridsen J. (1981). Glutamate and aspartate agonists structurally related to ibotenic acid. Molec Cell Blochem. 38 Spec. no. (pt 1) 123-28. 

Calderon and Kenner Rice developed a series of compounds based on the structure of BW373U86. The chiral methylether derivative SNC-80 showed greater selectivity for the delta opioid receptor, but was apparently associated with a brief single episode of convulsant activity, seeming to indicate potential limitations in the therapeutic value of delta receptor agonists. Structurally similar compounds that did not bind to the delta receptor were also shown to produce similar convulsant activity, confusing the issue of whether convulsant activity was an effect associated with the delta receptor itself, or with the specific structure. 

Fig. 1.2. The SMRT peptide binds as an extended helix and interacts with helix-12 (magenta) of PPAR-a, which is in a much different conformation than it is in an agonist structure. From PDB entry 1 KKQ.

Nalbuphine is a partial opioid agonist structurally similar to naloxone. Like naloxone it is an antagonist at OPs) ) receptors, whilst achieving analgesia via an agonist effect at OP2(k) receptors. 

Siebert, D. J., et al. (2004). Salvinorum A, an active component of the hallucinogenic sage Salvia divinorum is a highly efficacious kappa-opioid receptor agonist Structural and functional considerations. The Journal of Pharmacolojfy and Ecperimetital Therapeuties, 508, 1197-1203. 

Fig. 16 Potential K agonist structures 6-amide derivatives of compound 32b. Reprinted from [28] with permission from Elsevier. Copyright (2008)...

Those responsible for stimulation of gastric acid secretion and inhibition of rat uterus represent another type which are different from Hi receptors in terms of agonist structure-activity relationships and in the fact that specific antagonists are unknown for these responses. 

Brimonidine and the less lipid-soluble and less receptor-selective apraclonidine are 2-adrenergic agonists structurally similar to cloni-dine. Apraclonidine is indicated and brimonidine is effective for prevention or control of postoperative or postlaser treatment increases in lOP and both are indicated in the treatment of open-angle glaucoma. Brimonidine is considered a first-line or adjunctive agent in the therapy of POAG, and apraclonidine is seen as a second-line or adjunctive therapy. 

FlexX score in agonist structure (1ere) DrugScore in agonist structure (1eie)... 

Pirbuterol is a relatively selective 2 agonist structurally related to albuterol. Pirbuterol acetate (maxair) is available for inhalation therapy dosing is typically every 4-6 hours. 

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