Design structure-activity relationships

This article summarises the general characteristics of a novel antibacterial target, peptide deformylase (PDF) and reviews the design, structure-activity relationships (SAR) and properties of known PDF inhibitors, including pre-clinical and clinical data for the most advanced members of this class. 

Subject Drugs--Design. Drugs--Structure-activity relationships. Drugs—Conformation. Drug Design. Structure-Activity Relationship. 

Key words Absorption, distribution, metabolism, excretion, and toxicity (ADME/T), High-throughput screening (HTS), Hit-to-lead, Inhibitor design. Medicinal chemistry. Pharmacokinetics (PK), Pharmacophore, Rational design. Structure-activity relationship (SAR)... 

Doscenza, L., Yanchunas, J., Stein, P.D., and Atwal, K.S. (2008) Design, structure-activity relationships. X-ray crystal structure, and energetic contributions of a critical PI pharmacophore 3-chloroindole-7-yl-based factor Xa inhibitors. Journal of Medicinal Chemistry, 51, 7541—7551. 

GR Marshall, CD Barry, HE Bosshard, RA Dammkoehler, DA Dunn. The conformational parameter m drug design The active analog approach. ACS Symp Ser 112 205-226, 1979. JL Fauchere, ed. QSAR Quantitative Structure-Activity Relationships m Drug Design. New York Alan R Liss, 1989, pp 177-181. 

It is clear that a molecular imderstanding of phenomena on surfaces, elementary steps, help to imderstand how to improve catalytic systems through a structure-activity relationship. While there is still room for improvement, it should lead, in the near future, to a more rational design of heterogeneous catalysts and to the apphcation of metals modified by surface organometalhc chemistry to a larger number of reactions. 

H-bonding Parameterization in Quantitative Structure-Activity Relationships and Drug Design... 

I 6 H-bonding Parameterization in Quantitative Structure-Activity Relationships ef Drug Design Tab. 6.4 X-ray data, H-bond parameters and optimum energies and distances for few ideal complexes [48]. 

Testa, B., Kier, L. B. The concept of molecular structure in structure-activity relationship studies and drug design. Med. Res. Rev. 1991, 11, 35 8. 

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