Computational Chemistry

The drug candidates have a high attrition rate as they often fail to show the anticipated efficacy, or are found to pose unacceptable risks to human health. This is why studying ADME/Tox is crucial in drug discovery and development. At Life Chemicals, we provide an array of In Vitro ADMET Tests as a part of our early drug discovery portfolio.

FBDD is a powerful approach in drug design. To identify the fragment hits, various screening methods are employed. Transformation of the promising fragments into larger ligands with higher affinity and activity against the target (hit-to-lead optimization) can be realized via several strategies.

Peptidomimetics are synthetic molecules created to mimic natural peptides in three-dimensional form so that they retain the same biological activity while reducing the risks of their natural counterparts, including stability, proteolysis resistance, and bioavailability.

Covalent modifiers are crucial to the development of new drugs. Approximately 30% of all marketed drugs act as covalent inhibitors today. Despite the initial concerns about potential off-target toxicity, covalent inhibitors offer numerous advantages. In this way, there is continuous research, especially on cancer targets.

Highly sensitive methods for hit detection in FBDD are an absolute must. FBDD applies various biochemical, biophysical, and computational techniques to efficiently identify the event of weak fragment binding to a specific protein target. Life Chemicals offers a proprietary collection of Fragment Libraries to support these drug discovery efforts.