Drug Discovery is the engine that drives new drug development...
Although it encompasses many sub-disciplines and interactions with a broad team, with many competencies, central to the drug discovery process is the design of new molecular entities.
Design is a typically mix of classical Medicinal Chemistry, experimental structural research (NMR spectroscopy, X-ray crystallography, Electron Microscopy, etc.) and Computational Chemistry. They work together in harmony, to iteratively and logically design novel lead compounds and drive the process to successful selection of a development candidate. Insight into how a drug candidate binds to it's target is crucial in this design process. Undertanding how these different methodologies can be applied can dircetly affect ultimate success.
WCCS can offer many skills in this area from conceptual design of new compounds, management of synthesis and testing through Contract Research Organizations (CROs), building of models based on structural information, docking of potential leads to known pockets, use of ligand scaffold hopping and other techniques, like virtual screening, to broaden the chemical diversity of your program.
WCCS, utilizing a state of the art, NVidia GPU-driven and AMD Ryzen9-driven CPU server and top of the line software such as the OpenEye Scientific suite of software (www.eyesopen.com) can bring value to your project. For example, FastROCS searching of commercial databases of 100's of millions of compounds is now a reality... in mere minutes... giving you access to potential new leads quickly and efficiently. Other tools can help drive an understanding of how to optimize binding and design in intrinsic features to push your program towards sucecss.
Managing this process from start to finish, outsourcing when needed, is possible even in small virtual companies. The field continues to improve with new tools, and techniques becoming available and the constant improvements in testing methods/capabilities, chemical synthesis capabilities and computing power in general, can bring your team previously unavailable power and capabilities.
Talk to Dale about your needs and he can suggest possible ways to improve your processes, bring new ideas and get you to a development candidate, as quickly as possible.