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By Nuska Tschammer

Medicinal chemistry is either technology and paintings. The technology of medicinal chemistry bargains mankind one among its top hopes for making improvements to the standard of lifestyles. The artwork of medicinal chemistry keeps to problem its practitioners with the necessity for either instinct and adventure to find new medicinal drugs. as a result sharing the adventure of drug examine is uniquely important to the sector of medicinal chemistry. Drug learn calls for interdisciplinary team-work on the interface among chemistry, biology and drugs. for that reason, the topic-related sequence subject matters in Medicinal Chemistry covers all suitable elements of drug examine, e.g. pathobiochemistry of illnesses, id and validation of (emerging) drug ambitions, structural biology, drugability of goals, drug layout methods, chemogenomics, man made chemistry together with combinatorial equipment, bioorganic chemistry, average compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions at the molecular point, structure-activity relationships, drug absorption, distribution, metabolism, removal, toxicology and pharmacogenomics. regularly, distinct volumes are edited by means of renowned visitor editors.

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Extra resources for Chemokines: Chemokines and Their Receptors in Drug Discovery

Example text

As described earlier Merck identified a series of pyridine-substituted piperidines as potent CCR2 inhibitors. The clinical candidate was MK-0812 (Table 2 and 12 Fig. 4) [109, 148]. This compound was reported to be in a phase II clinical trial for rheumatoid arthritis [149]. However, MK-0812 failed to show any significant improvement compared to placebo for any of the end points studied and the program was discontinued [149]. Although there is limited evidence suggesting a potential role of the chemokine receptor CCR5 in the pathophysiology of rheumatoid arthritis, three companies nevertheless pursued CCR5 antagonists as potential therapeutics for this indication (Table 2).

1 CXCR4 Interactions with Small Molecules and Peptides . . . . . . . . . . . . . . 2 CCR5 Interaction with Maraviroc and Structural Basis for Allostery . . . . . . . . I. Kufareva (*), R. M. edu 42 43 45 45 47 42 I. Kufareva et al. 3 Before the CXCR4 Structure: Computational Elucidation of the Structural Basis of CXCR4 Antagonist Binding . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 Drug Discovery Efforts by Virtual Ligand Screening Against Models and Structures of CXCR4 .

2 Chemokine Receptor Structures and Complexes to Date . . . . . . . . . . . . . . . . . . 3 Structural Basis of Receptor Interactions with Small Molecules . . . . . . . . . . . . . . 1 CXCR4 Interactions with Small Molecules and Peptides . . . . . . . . . . . . . . 2 CCR5 Interaction with Maraviroc and Structural Basis for Allostery . . . . . . . . I. Kufareva (*), R. M. edu 42 43 45 45 47 42 I. Kufareva et al. 3 Before the CXCR4 Structure: Computational Elucidation of the Structural Basis of CXCR4 Antagonist Binding .

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