Conformational Analysis of Peptidomimetic Drug Leads by NMR
Conformationally constrained macrocyclic peptidomimetic compounds (millamolecules) offer an attractive venue for the design of orally bioavailable inhibitors of protein-protein interactions. This presentation provides an overview of how BMS uses NMR spectroscopy to shed light on the structure-activity relationship (SAR), characterize the solution structure, select candidates for crystallization, and study the dynamics of millamolecules.
Pharmaceutical Discovery and Development Analytical Workflows
AstraZeneca uses ACD/Labs software to make analytical data accessible as part of their Global Analytical Database. In this presentation, you’ll get an overview of how this database is used by chemists and analysts for data processing, data storage, and knowledge sharing. Two case studies are also shown to highlight how access to centralized data can...
Combined LC/MS and NMR for Automated Verification of Chemical Structures
Sanofi partnered with ACD/Labs to develop an automated lab tool combining LC/MS and 1H NMR to help organic chemists efficiently verify their structures. This tool collects, compiles, and evaluates the analytical data and the proposed structure once they are available, and sends the results to the chemist. The pilot project for this system is presented...
Novartis CSI: Detectives in the Chemistry Lab
Novartis employs a variety of ACD/Labs software in support of structure elucidation and structure verification in pharmaceutical development and post-commercialization. Here they present: Their workflow for structure identification and elucidation for impurities and degradants Time-savings from automated structure verification—a system supporting research chemists for several years The importance of integrated, centralized data management in impurity...
Structure Elucidation at Pfizer Sandwich
The Pfizer Structure Elucidation Group (SEG) spans two continents, supporting research and development in the UK and USA. In this presentation John talks about their structure elucidation workflow for assisted data processing and analysis, and centralized data management. John also presents some interesting case studies of puzzled they have solved.
A Chemical Characterization Workflow to Speed up Identification of Unknowns
At Medtronic, Cindy and Joe are responsible for the characterization of known and unknown compounds. When they needed to upgrade their instruments several years ago they also built their requirements for the analysis software they wanted to find and deploy: Instrument vendor and data format agnostic Integrated with existing ELN and LIMS Traceability (audit trail,...
A SMASHing Conference – Updates from the World of NMR
The last couple of years have been extremely disruptive. Covid-19 even influenced the world of chemistry – scientists changed the way they worked, and conferences moved online. With conferences and trade shows coming back, now is the perfect time to check-in on the field of NMR. Are things returning to normal, or have we shifted...
New Oligomeric Dihydrochalcones in the Moss Polytrichum commune: Identification, Isolation, and Antioxidant Activity
One of the most widespread representatives of mosses in the temperate and boreal latitudes of the Northern Hemisphere is common haircap (Polytrichum commune), which is known as the largest moss in the world and widely used in traditional herbal medicine. Polyphenolic compounds constitute one of the most important groups of biologically active secondary metabolites of P....
How Pfizer is Using Luminata to Support Pharmaceutical Development
Pharmaceutical development is data intensive. Chemical, analytical, and process information are necessary for route planning, impurity control, and regulatory documentation. Consolidating this data can be time-consuming, error-prone, and frustrating. How can pharmaceutical development scientists seamlessly access their results and make decisions? Watch this webinar where Dr. Hannah Davies (Principal Scientist, Pfizer) explains how Pfizer is...