Research Topic: Computational Chemistry

Vinigrol Tricyclic Scaffold Biosynthesis Employs an Atypical Terpene Cyclase and a Multipotent Cyclization Cascade

Scientists have discovered how a fungus produces vinigrol, a complex molecule with potential health benefits including lowering blood pressure and reducing inflammation. Using advanced computational tools and genetic engineering, researchers identified the specific genes and enzymes the fungus uses to build this molecule’s intricate three-ring structure. By modifying a key enzyme, they were able to create an entirely new diterpene molecule that doesn’t exist in nature, demonstrating the potential to engineer biological systems to produce novel medicinal compounds.

Read More »

Synthesis and biological assessment of novel 4H-chromene-3-carbonitrile derivatives as tyrosinase inhibitors

Researchers developed new chemical compounds that can block tyrosinase, an enzyme responsible for producing excessive skin pigment that causes dark spots and discoloration. The most effective compound (6f) works better than kojic acid, a commonly used skin-lightening ingredient, and could lead to safer treatments for hyperpigmentation and related skin conditions. Computer simulations showed that one form of the compound fits better into the enzyme’s active site, making it more effective at preventing melanin production.

Read More »
Scroll to Top