Virtual chemistry speeds up drug discovery

Among the hundreds of thousands of chemical compounds produced by plants, some may hold the key to treating human ailments and diseases. But recreating these complex, naturally occurring molecules in the lab often requires a time-consuming and tedious trial-and-error process. Now, chemists have shown how new computational tools can help them create complex natural compounds in a faster and more streamlined way.

Among the hundreds of thousands of chemical compounds produced by plants, some may hold the key to treating human ailments and diseases. But recreating these complex, naturally occurring molecules in the lab often requires a time-consuming and tedious trial-and-error process. Now, chemists have shown how new computational tools can help them create complex natural compounds in a faster and more streamlined way.

Read more https://www.sciencedaily.com/releases/2025/01/250106133215.htm