The structure-activity relationship (SAR) is the relationship between the chemical structure of a molecule and its biological ... Combinatorial chemistry Congener Conformation activity relationship Quantitative structure-activity relationship Pharmacophore ... known as quantitative structure-activity relationships (QSAR). A related term is structure affinity relationship (SAFIR). The ... Mani, S.V.; D.W. Connell; R.D. Braddock (1991). "Structure activity relationships for the prediction of biodegradability of ...
Some examples are quantitative structure-reactivity relationships (QSRRs), quantitative structure-chromatography relationships ... one can find a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical ... While many quantitative structure activity relationship analyses involve the interactions of a family of molecules with an ... Quantitative structure-activity relationship models (QSAR models) are regression or classification models used in the chemical ...
The structure-activity relationships (SAR) of anabolic steroids (AAS) have been extensively studied. Addition of a methyl or ... pathological findings and structure-activity relationships". Doping in Sports. Handbook of Experimental Pharmacology. Vol. 195 ... confers increased anabolic activity but decreased androgenic activity, resulting in a much greater ratio of anabolic to ... Attachment of a very long-chain ester such as undecanoate at the C17β position can confer some oral activity via absorption by ...
StructureActivity Relationship†". Journal of Agricultural and Food Chemistry. 44 (2): 497-501. doi:10.1021/jf950378u. ISSN ... Chen J, Chua KW, Chua CC, Yu H, Pei A, Chua BH, Hamdy RC, Xu X, Liu CF (2011). "Antioxidant activity of 7,8-dihydroxyflavone ... Le Bail JC, Varnat F, Nicolas JC, Habrioux G (1998). "Estrogenic and antiproliferative activities on MCF-7 human breast cancer ... In addition, tropoflavin possesses powerful antioxidant activity independent of its actions on the TrkB receptor, and protects ...
Prozialeck, W.C. and Weiss, B.: Inhibition of calmodulin by phenothiazines and related drugs; structureactivity relationships ... A structureactivity study. Psychopharmacol. Bull., 19:387‑392, 1983. Earl CQ, Prozialeck WC, Weiss B.: Interaction of alpha ... Winchurch, R., Hait, W. and Weiss, B.: Cyclic AMP phosphodiesterase activity of murine T and B lymphocytes. Cell. Immunol. 41: ... Weiss, B. and Costa, E.: Adenyl Cyclase activity in rat pineal gland: Effects of chronic denervation and norepinephrine. ...
Structure-activity relationships. I. Sympathomimetic and related amines." J. Med. Chem. 9 273-280. L. I. Goldberg, P. F. ... The pressor activity of DMDA was partially inhibited by the α-antagonist phentolamine. From these and other observations, the ... J. M. Kitzen, M. Ilhan, J. G. Cannon and J. P. Long (1976). "α-Adrenergic activity of N,N-dimethyldopamine (DMDA)." Eur. J. ... In another assay, 6 mg/kg of DMDA (i.p. in mice) only slightly antagonized the reduced locomotor activity resulting from pre- ...
Gessner PK, Godse DD, Krull AH, McMullan JM (March 1968). "Structure-activity relationships among 5-methoxy-n:n- ... Quantitative Structure-Activity Relationships. 18 (6): 548-560. CiteSeerX 10.1.1.669.1877. doi:10.1002/(SICI)1521-3838(199912) ...
"Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. ... Scherrer RA, Howard SM (January 1977). "Use of distribution coefficients in quantitative structure-activity relationships". ... Quantitative Structure-Activity Relationships. 7 (3): 133-144. doi:10.1002/qsar.19880070304. Andrés A, Rosés M, Ràfols C, Bosch ... Kow, being a type of partition coefficient, serves as a measure of the relationship between lipophilicity (fat solubility) and ...
Part 1. QSAR analysis using molecular connectivity". Quantitative Structure-Activity Relationships. 17 (4): 327-337. doi: ... October 2021). "Design, Hemiysnthesis, crystal structure and anticancer activity of 1, 2, 3-triazoles derivatives of totarol" ( ... Totarol's anti-cancer activity is hypothesized to be due to the natural product's ability to form an o-quinone methide in vivo ... Lee MK, Yang H, Yoon JS, Jeong EJ, Kim DY, Ha NR, Sung SH, Kim YC (July 2008). "Antifibrotic activity of diterpenes from Biota ...
3.0.CO;2-U. So SS, Karplus M (December 1996). "Genetic neural networks for quantitative structure-activity relationships: ... Quantitative Structure-Activity Relationships. 17 (1): 14-19. doi:10.1002/(SICI)1521-3838(199801)17:01. ...
ISBN 978-0-12-526451-8. Bryskier A. "Antibacterial Agents; Structure Activity Relationships" (PDF). p. 143. Archived from the ... They have similar activity to ciclosporin. Polyene antimycotics, such as amphotericin B, nystatin etc., are a subgroup of ... Some macrolides have antibiotic or antifungal activity and are used as pharmaceutical drugs. Rapamycin is also a macrolide and ... Schultz MJ (July 2004). "Macrolide activities beyond their antimicrobial effects: macrolides in diffuse panbronchiolitis and ...
"Tetracycline - Structure-activity relationships". University of Bristol. Retrieved 2 October 2018. Forsberg KJ, Patel S, ... Tariq S, Rizvi SF, Anwar U (25 July 2018). "Tetracycline: Classification, Structure Activity Relationship and Mechanism of ... "Structure-Activity Relationships in the Tetracycline Series". Advances in Applied Microbiology. 13: 237-266. doi:10.1016/S0065- ... The simplest tetracycline with measurable antibacterial activity is 6-deoxy-6-demethyltetracycline and its structure is often ...
Blair T, Webb GA (September 1977). "Electronic factors in the structure-activity relationship of some 1,4-benzodiazepin-2-ones ... A large number of benzodiazepine derivatives have been synthesised and their structure-activity relationships explored in ... Hadjipavlou-Litina D, Hansch C (1994). "Quantitative structure-activity relationships of the benzodiazepines. a review and ... So SS, Karplus M (December 1996). "Genetic neural networks for quantitative structure-activity relationships: improvements and ...
Bohl M, Simon Z, Vlad A, Kaufmann G, Ponsold K (1987). "MTD calculations on quantitative structure-activity relationships of ... The Case of Hard Molecules and Soft Receptors". Quantitative Structure-Activity Relationships. 11 (1): 23-28. doi:10.1002/qsar. ... Simon Z, Bohl M (1992). "Structure-activity Relations in Gestagenic Steroids by the MTD Method. ... It is about twice as potent as progesterone in terms of progestogenic activity in animal bioassays. 17α-BP is a parent compound ...
Quantitative Structure Activity Relationships (QSAR). Fragment based regression analysis for quantitative structure-activity ... Hansch may be best known as the father of the concept of quantitative structure-activity relationship (QSAR), the quantitative ... The Pioneer of QSAR". Quantitative Structure-Activity Relationships. 7 (3): 119-120. doi:10.1002/qsar.19880070302. Maugh, ... Hansch, Corwin (1993-04-01). "Quantitative structure-activity relationships and the unnamed science". Accounts of Chemical ...
... (α-GalCer, KRN7000) is a synthetic glycolipid derived from structure-activity relationship studies of ... "Structure-Activity Relationship of .alpha.-Galactosylceramides against B16-Bearing Mice". Journal of Medicinal Chemistry. 38 ( ... α-GalCer is a strong immunostimulant and shows potent anti-tumour activity in many in vivo models. α-GalCer is a potent ...
Important structure-activity relationship: 1. Strict steric constraint exists around the pyrrolidine ring of cyanopyrrolidine- ... Each inhibitor was important to establish an early structure activity relationship (SAR) for subsequent investigation. The ... It is a potent and selective DPP-4 inhibitor with a 2D-structure very similar to sitagliptin. However, the 3D-structure is ... Existing X-ray structures show that there is not much difference in size and shape of the pocket that indicates that the S1- ...
Synthesis and structure-activity relationships". Journal of Medicinal Chemistry. 35 (8): 1323-9. doi:10.1021/jm00086a001. PMID ... Sax M, Wünsch B (2006). "Relationships between the structure of dexoxadrol and etoxadrol analogues and their NMDA receptor ... Aepkers M, Wünsch B (December 2005). "Structure-affinity relationship studies of non-competitive NMDA receptor antagonists ... Because of its lipophilic structure, etoxadrol can be absorbed by fat tissues and organs (e.g. the liver). Etoxadrol also acts ...
Jordan VC, Mittal S, Gosden B, Koch R, Lieberman ME (September 1985). "Structure-activity relationships of estrogens". ... with predominantly estrogenic activity but also some antiestrogenic activity. CTA itself is inactive and is a prodrug in the ... ISBN 978-0-299-10480-1. Elks J (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and ... Classification of agonist, partial agonist, and antagonist actions based on structure". Molecular Pharmacology. 26 (2): 279-85 ...
Coburn RA, Solo AJ (June 1976). "Quantitative structure-activity relationships among steroids. Investigations of the use of ... Wolff ME (August 1974). "A quantitative reexamination of structure-activity relationships in the delta6-6-substituted ... Topliss JG, Shapiro EL (June 1975). "Quantitative structure-activity relationships in the delta6-6-substituted progesterone ... Shapiro EL, Weber L, Harris H, Miskowicz C, Neri R, Herzog HL (July 1972). "Synthesis and biological activity of 17-esters of 6 ...
Structure-activity Relationships of the Cannabinoids. NIDA Research Monograph. Vol. 79. pp. 31-47. Järbe TU, Hiltunen AJ, ... Melvin LS, Johnson MR (1987). "Relationships of Tricyclic and Nonclassical Bicyclic Cannabinoids". In Rapaka RS, Makriyannis A ... is a cannabinoid first discovered from early modifications to the structure of THC, in a search for the simplest compound that ... Lander N, Mechoulam R (August 1986). "Cannabimimetic activity (delta 1-THC cue) of cannabidiol monomethyl ether and two ...
Topliss, John (2012-12-02). Quantitative Structure-Activity Relationships of Drugs. Elsevier. p. 427. ISBN 9780323146876. Meyer ... 2-(1-methylpropyl)phenol takes up the nitronium ion to form the arenium ion, which has three resonance structures. Water can ... This compound had a superior contact and stomach activity on insects and mites. Dinoseb became commercially available in 1945 ... Saitoh, I., Miyoshi, H., Shimizu, R., and Iwamura, H. (1992). "Comparison of structure of quinone redox site in the ...
Koehbach J (2017). "Structure-Activity Relationships of Insect Defensins". Frontiers in Chemistry. 5: 45. Bibcode:2017FrCh....5 ... small molecule structures that mimic defensins in structure and activity. Similar molecules, such as brilacidin, are being ... They are host defense peptides, with members displaying either direct antimicrobial activity, immune signaling activities, or ... but are not necessarily required for antimicrobial activity. Theta defensins form a single beta-hairpin structure and represent ...
Analysis by quantitative structure-activity relationships. pp. 264-280. doi:10.1021/bk-1989-0413.ch018. ISBN 978-0-8412-1702-7 ... October 1974). "Structure-activity relationships in psychotomimetic phenylalkylamines". Journal of Medicinal Chemistry. 17 (10 ... "A structure-affinity study of the binding of 4-substituted analogues of 1-(2,5-dimethoxyphenyl)-2-aminopropane at 5-HT2 ...
... structure-activity-relationship study". Curr Med Chem. 16 (9): 2468-2474. doi:10.2174/092986709788682074. PMID 19601792. ...
Cannon JG (1983). "Structure-activity relationships of dopamine agonists". Annual Review of Pharmacology and Toxicology. 23: ... Markstein R, Seiler MP, Jaton A, Briner U (March 1992). "Structure activity relationship and therapeutic uses of dopaminergic ... When dealing with agonists it can be extremely complex to confirm relationships between structure and biological activity. ... Therefore, their activity depends both on their efficacy to activate receptors and their affinity to bind to receptors. Many ...
Glennon RA, Dukat M (2016). "Structure-Activity Relationships of Synthetic Cathinones". Current Topics in Behavioral ...
A-41988 Menabitan Razdan RK (2009). "Structure-Activity Relationships of Classical Cannabinoids". In Reggio PR (ed.). The ...
Singh SM, Gauthier S, Labrie F (2000). "Androgen receptor antagonists (antiandrogens): structure-activity relationships". Curr ... structure-activity relationships". Curr. Med. Chem. 7 (2): 211-47. doi:10.2174/0929867003375371. PMID 10637363. Migliari R, ... show no off-target hormonal activity such as progestogenic, glucocorticoid, or antimineralocorticoid activity, and lack ... Cimetidine (Tagamet): An over-the-counter histamine H2 receptor antagonist that also shows very weak activity as an AR ...
... structure-activity relationships". Current Medicinal Chemistry. 7 (2): 211-47. doi:10.2174/0929867003375371. PMID 10637363. ... and this action may also be involved in its activity as an antiandrogen. The activity of bicalutamide lies in the (R)-isomer, ... All doses from 30 mg and above showed intrinsic activity in terms of reductions in PSA, with doses of 50 mg and above giving ... Bicalutamide, as well as enzalutamide, have been found to act as inhibitors of P-glycoprotein efflux and ATPase activity. This ...