Inhibitors structure-activity relationship

Enzyme inhibitors—Therapeutic use—Testing. 2. Drugs—Design. 3. Enzyme inhibitors— Structure-activity relationships. I. Title. 

T. R., LalibertO, F., Lynch, J.J., Mancini, J., Martins, E., Masson, P., Muise, E., Pon, D. J., Siegl, P.KS., Styhler, A., Tsou, N.N., Turner, M.J., Young, R.N. and Girard, Y. (2003) Optimization of a tertiary alcohol series of phosphodiesterase-4 (PDE4) inhibitors structure-activity relationship related to PDE4 inhibition and human ether-a-go-go related gene potassium... 

Aldose reductase inhibitors Structure-activity relationships and therapeutic potential, 18, 139 Alzheimer s Disease A pharmacological challenge, 25, 203 Amantadine, 8, 11... 

Recent advances in GABA agonists, antagonists and uptake inhibitors structure-activity relationships and therapeutic potential, 17, 381... 

Majmudar, J.D., et al. (2011). Amide-modified prenylcysteine based Icmt inhibitors structure-activity relationships, kinetic analysis and cellular characterization. Bioorg Med Chem. (in press). 

Krogsgaard-Larsen, P, Hjeds, H., Falch, E., Jprgensen, E. S., Nielsen, L. Recent advances in GABA agonists, antagonists and uptake inhibitors structure-activity relationships and therapeutic potential. In Advances in Drug Research (Testa, B., Ed.), Vol. 17. Academic Press London, 1988, pp. 381-456. 

Hirashima, S., Suzuki, T., Ishida, T., Noji, S., Yata, S., Ando, I., Komatsu, M., Ikeda, S., Hashimoto, H. Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-depend-ent RNA polymerase inhibitors structure-activity relationship studies and identification of a potent and highly selective inhibitor JTK-109. J. Med. Chem. 2006, 49, 4721-4736. 

Regueiro-Ren A, Xue QM, Ueda Y et al (2009) HIV-1 attachment inhibitors structure-activity relationships leading to the identification of l-(4-henzoylpiperazin-l-yl)-2-(4-fluoro-7-(l//-l,2,3-triazol-l-yl)-l//-pyrrolo[2,3-c]pyridin-3-yl)ethane-l,2-dione. Abstract MEDI-450. 238th ACS national meeting, Washington, DC... 

A range of penicillins have been examined as competitive reversible inhibitors of enkephalinase [119,120]. Carfecillin K = 0.18 M) was the most potent inhibitor in the series, whereas cloxacillin (Aj = 27.5 //M), ampicillin (A = 41 //M), nafcillin (A = 59 //M) and carbenicillin (Aj =158 juM) had moderate potency and benzylpenicillin (A = 885 jUM), mezlocillin (Aj = 437 juM) and azlocillin (Kj = 556 //M) were weak inhibitors. Structure-activity relationships within the series have been rationalized... 

Read MA, Wood AA, Harrison JR, Gowan SM, Kelland LR, Dosanjh HS, Neidle S (1999) Moleeular modelling studies on G-quadruplex complexes of telomerase inhibitors structure-activity relationships. J Med Chem 42, 4538-4546... 

V. (2013) Optimization of pyrrolamides as mycobacterial GyrB ATPase inhibitors structure activity relationship and in vivo efficacy in the mouse model of tuberculosis. Antimicrobial Agents and Chemotherapy. In print. Antimicrobial Agents and Chemotherapy, 58,4993. 

Z, ] McClarin, T Klein and R Langridge 1985. A Quantitative Structure-Activity Relationship and ecular Graphics Study of Carbonic Anhydrase Inhibitors. Molecular Pharmacology 27 493-498. 

Quantitative Structure—Activity Relationships (QSAR). Quantitative Stmcture—Activity Relationships (QSAR) is the name given to a broad spectmm of modeling methods which attempt to relate the biological activities of molecules to specific stmctural features, and do so in a quantitative manner (see Enzyme INHIBITORS). The method has been extensively appHed. The concepts involved in QSAR studies and a brief overview of the methodology and appHcations are given here. 

GM Crippen. Quantitative structure-activity relationships by distance geometry Systematic analysis of dihydrofolate reductase inhibitors. I Med Chem 23 599-606, 1980. 

TA Andrea, H Kalayeh. Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors. J Med Chem 34 2824-2836, 1991. 

Kim CU, Lew W, Wilhams MA, Wu H, Zhang L, Chen X, Escarpe PA, Mendel DB, Laver WG, Stevens RC (1998) Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors, J Med Chem 41 2451-2460 Kim CU, Chen X, Mendel DB (1999) Neuraminidase inhibitors as anti-influenza virus agents. Antiviral Chem Chemother 10 141-154... 

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... 

Ekins S, Bravi G, Binkley S, Gillespie JS, Ring BJ, Wikel JH, et al. Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2D6 inhibitors. Pharmacogenetics 1999 9 477-89. 

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. 

More recently (2006) we performed and reported quantitative structure-activity relationship (QSAR) modeling of the same compounds based on their atomic linear indices, for finding fimctions that discriminate between the tyrosinase inhibitor compounds and inactive ones [50]. Discriminant models have been applied and globally good classifications of 93.51 and 92.46% were observed for nonstochastic and stochastic hnear indices best models, respectively, in the training set. The external prediction sets had accuracies of 91.67 and 89.44% [50]. In addition to this, these fitted models have also been employed in the screening of new cycloartane compounds isolated from herbal plants. Good behavior was observed between the theoretical and experimental results. These results provide a tool that can be used in the identification of new tyrosinase inhibitor compounds [50]. 

Shi DF et al. (2001) Quadruplex-interactive agents as telomerase inhibitors synthesis of porphyrins and structure-activity relationship for the inhibition of telomerase. J Med Chem 44(26) 4509-4523... 

Hansch C, Verma RP (2007) Quantitative Structure-Activity Relationships of Heterocyclic Topoisomerase I and II Inhibitors. 10 43-74 Herncindez-Mateo F, see Santoyo-Gonzdlez F (2007) 7 133-177 Holt H Jr, see Brown T (2006) 2 1-51... 

Hansch and Verma contribute to the quantitative structure-activity relationship (QSAR) analysis of heterocyclic topoisomerase I and II inhibitors. These inhibitors, known to inhibit either enzyme, act as antitumor agents and are currently used in chemotherapy and in clinical trials. 

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