Nobel Prize in Chemistry 2013 Goes to Karplus, Levitt, and Warshel

Staffan Normark, Permanent Secretary of the Royal Swedish Academy of Sciences, has just announced Martin Karplus (Strasbourg/Harvard), Michael Levitt (Stanford), and Arieh Warshel (Univ. of Southern California) as this year’s recipients of the chemistry prize, “for the development of multiscale models for complex chemical systems.” The collective work was described as, “allowing classical and quantum mechanics to shake hands.” Most relevant to my pharmacology and drug development readers, the laureates developed the computing methods to predict the interaction of pharmaceuticals with their drug targets, allowing drug design in advance of empirical experimentation. Seven Lidin, Chair of the Nobel Committee for Chemistry said, “There is not a pharmaceutical company that doesn’t have a theory division.” In 1975 and 1976, Warshel and Levitt began studying how the enzyme lysozyme works. They took the approach of trying to simplify the molecule so as to minimize the amount of computing power required to approximate how the enzyme works. Warshel was the first to be reached on the Nobel livecast despite being the furthest away (and earliest) at 3:02 a.m. in Los Angeles. He describes the advance of his work from X-ray crystal structures, static pictures of where atoms sit in three-dimensions. Warshel used the metaphor for X-ray structures of “seeing a watch and wondering how it works.” Their methodology was a “way which required computers to take a structure of a protein and then to eventually understand how it does what it does.” A tweet from the ACS Pressroom noted that Warshel is a 20-year ACS member and all three have published in ACS journals. Our beloved colleague, Professor Paul Bracher who writes the chemistry blog Chembark, has been liveblogging the proceedings. In a C&EN Nobel predictions roundtable Google Hangout last week, Bracher expressed the feeling that a prize for theoretical work was “a longshot.” Swedish organic chemist Per-Ola Norrby came the closest out of all the sources I could find in predicting Warshel and Karplus with Norman “Lou” Allinger of the University of Georgia. He notes that Allinger’s work preceded that of all three of this year’s winners. But to Bracher’s credit otherwise, his odds list did include Monday’s physiology or medicine prize winners – Rothman, Schekman, and Südhof – for a cell biology prize that could have also been awarded in chemistry.    ...

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