Creating Beautiful and Functional Molecules

"I want to design molecules with structures that no one has ever seen before."

Such molecules may possess unprecedented functions.

Mr. Kobayashi's research theme is to create new things that are both aesthetically beautiful and functional.

(As of December 2023)

Photo: Keio University Faculty of Pharmacy

Mr. Kobayashi thought that medicine could save more people and be useful to society. From his undergraduate to master's studies, he was in a course called Bioorganic and Medicinal Chemistry, which focuses on drug development. As he took classes, he began to feel the fascination of molecular structures, which had previously been mere memorization for him. As his understanding of "chemistry" deepened, he became particularly captivated by the appeal of viewing molecules through their structural formulas. "For example, the molecules of anticancer drugs. I was more impressed by the fact that someone had created such complex structures with multiple large rings than by the fact that they acted as medicine and exerted their effects." Therefore, for his Doctoral Programs, he shifted his focus to a research theme specializing in "chemistry." Every day, driven by curiosity, Mr. Kobayashi avidly reads a wide variety of papers, forming images of the molecules he wants to create in his mind. This repeated contemplation leads him to think concretely about molecular combinations. In this way, he aims to create molecules with functions that do not yet exist in the world.

How does one actually "create a new molecule"? For example, to represent methane (CH ₄ ) with a structural formula, you write hydrogen at the end of four bonds extending from a central carbon atom. Even if a connection is possible in a structural formula, whether it can actually be created is another matter. To verify if an idea for a molecule that pops into his head is viable, he runs a supercomputer. Every morning, Mr. Kobayashi runs calculations, and based on the results that come out the next day, he reassembles and recalculates. He has so far succeeded in creating a three-dimensional structure by connecting quinoline rings, for which there are few research examples, with oxygen atoms, thereby discovering a new function. On the other hand, he has been struggling for over two years to achieve a three-dimensional structure with atoms other than oxygen. Why does he continue to challenge himself without giving up? "I'm certain that it's energetically feasible. I'm filled with the power and conviction that I can definitely create it." Mr. Kobayashi's relentless challenge continues.

Q. What do pharmaceutical sciences mean to you?

A. Creating chemical structures with unique properties and forms that have yet to be seen.