上海有機所兩位研究員受邀參與撰寫《自然-化學》十周年專題論文
3月22日，《自然-化學》雜志（Nature Chemistry）為紀念創(chuàng)刊十周年，特邀了全球58位化學家以Charting a course for chemistry（化學探索之路）為題發(fā)表了紀念專題論文（Feature），提出化學各領(lǐng)域中他們認為的最激動人心、最有趣或最具挑戰(zhàn)的研究藍圖。其中，上海有機所游書力研究員、李昂研究員分別受邀作為署名作者，提出合成化學領(lǐng)域的挑戰(zhàn)性問題。
游書力：精準合成無疑是合成化學追求的一個首要目標?；瘜W家應(yīng)當思考如何最大化地將包括化石資源、生物質(zhì)在內(nèi)的大宗化學原料，利用催化反應(yīng)高效高選擇性地合成多樣性的目標化合物。我個人尤為期待看到惰性化學鍵和惰性化學體系的高效高選擇性轉(zhuǎn)化的進一步發(fā)展，以及高精度理論計算和人工智能技術(shù)將如何影響和改變化學研究過程。
Precision synthesis is undoubtedly the premier goal in synthetic chemistry. Chemists should think how to maximize the utilization of bulk chemical feedstocks, including fossil resources and biomass, to enhance efficiency and selectivity during catalysed chemical transformations, and to promote the diversity of final products. Personally, I look forward to seeing further advances in highly efficient and selective transformations of inert chemical bonds and inert chemical systems and how the implementation of high-level theoretical calculations and artificial intelligence will fundamentally change organic chemistry.
李昂：在天然產(chǎn)物合成領(lǐng)域，計算機輔助的合成路線設(shè)計有望成為一個愈發(fā)有趣的方向。對比于相對“平面”的藥物分子，具有復雜立體化學的天然產(chǎn)物分子對于人工智能而言仍然是頗具挑戰(zhàn)性的目標。對其生源網(wǎng)絡(luò)的系統(tǒng)分析可能揭示出諸多以往被忽視的逆合成方式，這些具有“先天合理性”優(yōu)勢的合成策略有望顯著提高計算機所設(shè)計合成路線的實用性和靈活性。另外，對應(yīng)于酶促反應(yīng)或反應(yīng)級聯(lián)的基因元件可能成為人工智能的一大利器。融合化學反應(yīng)與酶促反應(yīng)的合成路線在計算機輔助之下將更快成為天然產(chǎn)物合成領(lǐng)域中的常態(tài)。
In the field of natural product synthesis, designing synthetic routes with the help of computers may become an increasingly attractive direction. In contrast to rather ‘flat’ pharmaceuticals, stereochemically complicated natural products remain challenging targets for computational methods. Strategies based on systematic analysis of biosynthetic networks to uncover underappreciated retrosyntheses could significantly improve the practicality and versatility of computer-designed routes. In addition, the gene clusters responsible for enzymatic reactions (or reaction cascades) in natural product biosynthesis could be an advantageous tool for computers, potentially making combined chemical and enzymatic routes more common in near future.
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