P structure-activity relationship

Schmid, D., Ecker, G., Kopp, S., Hitzler, M., Chiba, P., Structure-activity relationship studies of propafenone analogs based on P-glycoprotein ATPase activity measurements, Biochem. Pharmacol. 1999, 58, 1447-1456. 

Guenard, D., Gueritte-Voegelein, R, Dubois, L, Potier, P. Structure-activity relationships of Taxol and Taxotere analogues. J. Natl. Cancer Inst. Monogr. 1993, 75, 79-82. 

Fryer, R. I., Zhang, R, Rios, R., Gu, Z.-Q., Basile, A. S., Skolnick, P. Structure-activity relationship studies at the benzodiazepine receptor... 

Hall, S.S., Loebenberg, D., and Schumacher, D.P, Structure-activity relationships of synthetic antibiotic analogs of anisomycin, J. Med. Chem., 26, 469, 1983. 

Holiday J D, S R Ranade and P Willett 1995. A Fast Algorithm For Selecting Sets Of Dissimilar Molecule From Large Chemical Databases. Quantitative Structure-Activity Relationships 14 501-506. 

J. P. Hu and co-workers. Structure Activity Relationship oJFlavonoids with Superoxide S cavenging Activity, Biological Trace Element Research, Vol. 47, The Humana Press Inc., Clifton, N.J., pp. 327—331, 1995. 

Nishioka and Fujita78) have also determined the Kd values fora- and (S-cyclodextrin complexes with p- and/or m-substituted phenyl acetates through kinetic investigations on the alkaline hydrolysis of the complexes. The Kd values obtained were analyzed in the same manner as those for cyclodextrin-phenol complexes to give the Kd(X) values (Table 5). The quantitative structure-activity relationships were formulated as Eqs. 30 to 32 ... 

Finke, P. E., Oates, B., Mills, S. G., MacCoss, M., Malkowitz, L., Springer, M. S., Gould, S. L., DeMartino, J. A., Carella, A. Carver, G., et al. (2001). Antagonists of the human CCR5 receptor as anti-HIV-1 agents. Part 4 synthesis and structure—Activity relationships for l-[7V-(Methyl)-7V-(phenylsulfonyl)amino]-2-(phenyl)-4-(4-(7V-(alkyl)-7V-(benzylox-ycarbonyl)amino)piperidin-l-yl)butanes. Bioorg. Med. Chem. Lett. 11 2475-2479. 

Smith PW, Sollis SL, Howes PD, Cherry PC, Starkey ID, Cobley KN, Weston H, Scicinski J, Merritt A, Whittington A, Wyatt P, Taylor N, Green D, BetheU R, Madar S, Fenton RJ, Motley PJ, Pateman T, Beresford A (1998) Dihydropyrancarboxamides related to zanamivir a new series of inhibitors of influenza virus sialidases. 1. Discovery, synthesis, biological activity, and structure-activity relationships of 4-guanidino- and 4-amino H-pyran-6-carboxamides. J Med Chem 41 787-797... 

Martin YC. Distance comparison (DISCO) A new strategy for examining 3D structure-activity relationships. In Hansch C, Fujita T, editors, Classical and 3D QSAR in agrochemistry. Washington, DC American Chemical Society, 1995. p.318-29. 

Gao H, Williams C, Labute P, Bajorath J. Binary quantitative structure-activity relationship (QSAR) analysis of estrogen receptor ligands. / Chem Inf Comput Sci 1999 39 164-8. 

Austel V, Kutter E. Absorption, distribution, and metabolism of drugs. In Topliss, EJ, editor. Quantitative structure-activity relationships of drugs. New York Academic Press, 1983. p. 437-96. 

Netzeva TI, Worth AP, Aldenberg T, Benigni R, Cronin MTD, Gramatica P et al. Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM workshop 52. ATLA 2005 33 152-73. 

Ekins S, Kim RB, Leake BE, Dantzig AH, Schuetz E, Lan LB, et al. Application of three dimensional quantitative structure-activity relationships of P-glycoprotein inhibitors and substrates. Mol Pharmacol 2002 61 974-981. 

Meylan, W.M. Howard, P.H. (2003) A Review of Quantitative Structure-Activity Relationship Methods for the Prediction of Atmospheric Qxidation of Qrganic Chemicals. Environmental Toxicology and Chemistry, 22(8), 1724—1732. 

Raevsky, O. A., Schaper, K.-J. Physicochemical descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. In Abstracts of 12th International Workshop on Quantitative Structure-Activity Relationships in Environmental Toxicology, Lyon, France, 2006, p. 23. 

The CHI index is reportedly a relevant parameter in quantitative structure-activity relationship (QSAR) studies [41]. With this approach, log P could be determined in the range -0.45more than 25000 compounds with excellent reproducibility (within 2 index units) and reported in a GlaxoSmithKline database [11]. Two main drawbacks were identified using this approach (i) the assumptions used in Ref [7], i.e. that S is constant for all compounds and that the system dwell volume is excluded in calculations, yield some discrepancies in the resulting log P, and (ii) the set of gradient calibration... 

Petrauskas, A. A., Kolovanov, E. A. ACD approaches for phys-chem data prediction. In 13th Eur. Symp. on Quantitative Structure-Activity Relationships, Dtisseldorf 2000, abstr. book p. 4. 

Lewis, D. F., Lake, B. G., Ito, Y., Anzenbacher, P. Quantitative structure-activity relationships (QSARs) within cytochromes P450 2B (CYP2B) subfamily enzymes the importance of lipophilicity for binding and metabolism. Drug Metab. Drug Interact. 

P.J. Lewi, Multivariate data analysis in structure-activity relationships. In Drug Design (E.J. Ariens, Ed.), Vol. X. Academic Press, New York, 1980. 

Lan R, Liu Q, Fan P, Lin S, Fernando SR, McCallion D, Pertwee R, Makriyannis A. Structure-activity relationships of pyrazole derivatives as cannabinoid receptor antagonists. J Med Chem 1999 42 769-776. 

Hellberg, S., Eriksson, L., Jonsson, J., Lindgren, F., Sjostrom, M., Skagerberg, B., Wold, S. and Andrews, P. (1991), Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships , Int.J. Peptide Protein Res., 37, 414-424. 

Bowman, J.W., Friedman, A.R., Thompson, D.P., Ichhpurani, A.K., Kellman, M.F. and Geary, T.G. (1996) Structure-activity relationships in a nematode FMRFamide-like peptide, KNEFIRFamide. Peptides 17, 381-387. 

Weinstein, H., R. Osman, and J. P. Green. 1979. The Molecular Basis of Structure-Activity Relationships Quantum Chemical Recognition Mechanisms in Drug-Receptor Interactions. In Computer-Assisted Drug Design. E. C. Olson and R. E. Christofferson, eds. American Chemical Society, Washington, D.C. 

Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein, Molec. Pharmacol. 2002, 61, 964-973. 

Seelig, A., Landwojtowicz, E., Structure-activity relationship of P-glycoprotein substrates and modifiers, Eur. J. Pharm. Sci. 2000, 12, 31—40. 

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