Structural and functional insights into glycosyltransferase from Nocardia asteroides NCTC11293 and structure-guided discovery of marine and phytochemical leads through pharmacokinetic screening and molecular dynamics studies

Key Points

• Molecular dynamics studies reveal strong interactions in glycosyltransferase, aiding lead discovery.
• Pharmacokinetic screening identified several promising marine and phytochemical leads for further research.
• Investigation involved structural analysis of glycosyltransferase as well as dynamic simulations of protein interactions.
• Findings support the potential for efficient drug design strategies focusing on natural compound derivation.