The exponentially increasing number of protein and nucleic acid sequences provides
opportunities to discover novel enzymes, metabolic pathways, and metabolites/natural …

Class C β-lactamases or cephalosporinases can be classified into two functional groups (1,
1e) with considerable molecular variability (≤ 20% sequence identity). These enzymes are …

Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and
chemical probes of protein function; it can cover broad swaths of chemical space and allows …

Spatial distancing of a substrate's reactive group and nonreactive catalyst-binding group
from its pro-stereogenic element presents substantial hurdles in asymmetric catalysis. In this …

Synthetic application of asymmetric catalysis relies on strategic alignment of bond
construction to creation of chirality of a target molecule. Remote desymmetrization offers …

Fragment-based drug discovery (FBDD) relies on the premise that the fragment binding
mode will be conserved on subsequent expansion to a larger ligand. However, no general …

Analysis of binding energy hot spots at protein surfaces can provide crucial insights into the
prospects for successful application of fragment-based drug discovery (FBDD), and whether …

The side chains of Y208 and S211 from loop 7 of triosephosphate isomerase (TIM) form
hydrogen bonds to backbone amides and carbonyls from loop 6 to stabilize the caged …

In early-stage drug discovery, the hit-to-lead optimization (or “hit expansion”) stage entails
starting from a newly identified active compound and improving its potency or other …

Biology is turning from an analytical into a synthetic discipline. This is especially apparent in
the field of metabolic engineering, where the concept of synthetic metabolism has been …