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Vaidya, Aditya S.; Helander, Jonathan D. M.; Peterson, Francis C.; Elzinga, Dezi; Dejonghe, Wim; Kaundal, Amita; Park, Sang-Youl; Xing, Zenan; Mega, Ryousuke; Takeuchi, Jun; et al (, Science)Drought causes crop losses worldwide, and its impact is expected to increase as the world warms. This has motivated the development of small-molecule tools for mitigating the effects of drought on agriculture. We show here that current leads are limited by poor bioactivity in wheat, a widely grown staple crop, and in tomato. To address this limitation, we combined virtual screening, x-ray crystallography, and structure-guided design to develop opabactin (OP), an abscisic acid (ABA) mimic with up to an approximately sevenfold increase in receptor affinity relative to ABA and up to 10-fold greater activity in vivo. Studies inArabidopsis thalianareveal a role of the type III receptorPYRABACTIN RESISTANCE-LIKE 2for the antitranspirant efficacy of OP. Thus, virtual screening and structure-guided optimization yielded newly discovered agonists for manipulating crop abiotic stress tolerance and water use.more » « less
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Vaidya, Aditya S.; Peterson, Francis C.; Yarmolinsky, Dmitry; Merilo, Ebe; Verstraeten, Inge; Park, Sang-Youl; Elzinga, Dezi; Kaundal, Amita; Helander, Jonathan; Lozano-Juste, Jorge; et al (, ACS Chemical Biology)
