-
Recent Posts
Top Rated
Most Popular:
- Review: Bioisosteres in Drug Design
- Enhancing solubility by disrupting crystal packing
- Improved PK profile through fluorine and deuterium incorporation
- Working with Ion Channels
- TAK-733 & CH4987655 (Allosteric MEK Inhibitors)
- Reducing bioactivation potential by chemical design
- The Discovery of RG1678 (Gly-T1 inhibitor)
- Efficacy and plasma protein binding
- Review: Gamma-secretase modulators
Blogroll
Conferences
Intellectual Property
Journals
MedChem Resources
News
Organic Chemistry Resources
- Abbott adverse events allosteric allosteric inhibitor amine basicity Analgesic animal PK anti-viral AstraZeneca Aurora beta-secretase bioactivation BIRB-796 Boehringer Ingelheim cancer cardiotoxicity cellular potency CGRP chloro CNS penetration computational method crystal packing CYP450 Deuterium Doramapimod FAAH Fatty acid amide hydrolase fluorine free drug functional antagonist Gly-T1 gpcr hepatotoxicity hERG immunosuppressant isostere kinase kinetic isotope effect Lexicon Pharmaceuticals LipE Merck metabolism mTOR nitrile Novartis osteoarthritis P-gp p38 Pain PF-04457845 PF-3845 Pfizer Phase I Phase II Phase III POC PPB protein binding PSA reactive metabolite review RG1678 rheumatoid arthritis Roche S1P1 S1PL Schizophrenia solubility Structural alert Structure Based Design switch pocket synthesis toxicity Transporters X-ray data
Categories
Tag Archives: computational method
GPCR structure and modeling
A recently published letter from scientists at Boehringer Ingelheim nicely summarizes recent advances in our understanding of G protein-coupled receptor (GPCR) structure and function. X-ray structures of the inactive forms of bovine rhodopsin (2000), β2 adrenergic receptor (2007 – with antibody … Continue reading
Atropisomerism in Drug Discovery
Following up on their earlier mini-review, the authors of this recent paper outline their work at Boehringer Ingelheim on developing methodology and strategies for dealing with the issue of atropisomerism in drug discovery. The authors highlight the fact that, whilst the … Continue reading
