Research Keyword: Protein structure prediction

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.

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In silico screening and molecular dynamics analysis of natural DHPS enzyme inhibitors targeting Acinetobacter baumannii

Researchers used computer modeling to find natural compounds from plants and mushrooms that can inhibit a key bacterial enzyme (DHPS) in dangerous antibiotic-resistant bacteria called Acinetobacter baumannii. They tested thousands of natural molecules and identified two promising candidates that bind strongly to this enzyme and prevent bacteria from producing folic acid, which they need to survive. The study suggests these natural compounds could potentially be developed into new antibiotics to fight infections caused by drug-resistant bacteria.

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