-
Recent Posts
Top Rated
Most Popular:
- The Discovery of RG1678 (Gly-T1 inhibitor)
- PoseView
- Review: Gamma-secretase modulators
- Structure-based design of BACE inhibitors
- Review: Optimizing CNS access
- MDM2-p53 protein-protein interaction inhibitors
- Improving Solubility using X-ray crystal structure data
- Review: Chemical carcinogenicity and mutagenicity
- Discovery of PF-04691502 (PI3K/mTOR dual inhibitor)
- Review: Bioisosteres in Drug Design
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
