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Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention.
Nie Z, Bonnert R, Tsien J, Deng X, Higgs C, El Mazouni F, Zhang X, Li R, Ho N, Feher V, Paulsen J, Shackleford DM, Katneni K, Chen G, Ng ACF, McInerney M, Wang W, Saunders J, Collins D, Yan D, Li P, Campbell M, Patil R, Ghoshal A, Mondal P, Kundu A, Chittimalla R, Mahadeva M, Kokkonda S, White J, Das R, Mukherjee P, Angulo-Barturen I, Jiménez-Díaz MB, Malmstrom R, Lawrenz M, Rodriguez-Granillo A, Rathod PK, Tomchick DR, Palmer MJ, Laleu B, Qin T, Charman SA, Phillips MA. Nie Z, et al. Among authors: wang w. J Med Chem. 2025 Jan 9;68(1):590-637. doi: 10.1021/acs.jmedchem.4c02394. Epub 2024 Dec 22. J Med Chem. 2025. PMID: 39710971
Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
Palmer MJ, Deng X, Watts S, Krilov G, Gerasyuto A, Kokkonda S, El Mazouni F, White J, White KL, Striepen J, Bath J, Schindler KA, Yeo T, Shackleford DM, Mok S, Deni I, Lawong A, Huang A, Chen G, Wang W, Jayaseelan J, Katneni K, Patil R, Saunders J, Shahi SP, Chittimalla R, Angulo-Barturen I, Jiménez-Díaz MB, Wittlin S, Tumwebaze PK, Rosenthal PJ, Cooper RA, Aguiar ACC, Guido RVC, Pereira DB, Mittal N, Winzeler EA, Tomchick DR, Laleu B, Burrows JN, Rathod PK, Fidock DA, Charman SA, Phillips MA. Palmer MJ, et al. Among authors: wang w. J Med Chem. 2021 May 13;64(9):6085-6136. doi: 10.1021/acs.jmedchem.1c00173. Epub 2021 Apr 20. J Med Chem. 2021. PMID: 33876936 Free PMC article.
Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines.
Priebbenow DL, Mathiew M, Shi DH, Harjani JR, Beveridge JG, Chavchich M, Edstein MD, Duffy S, Avery VM, Jacobs RT, Brand S, Shackleford DM, Wang W, Zhong L, Lee G, Tay E, Barker H, Crighton E, White KL, Charman SA, De Paoli A, Creek DJ, Baell JB. Priebbenow DL, et al. Among authors: wang w. J Med Chem. 2021 Apr 8;64(7):4150-4162. doi: 10.1021/acs.jmedchem.1c00044. Epub 2021 Mar 24. J Med Chem. 2021. PMID: 33759519
Systematic evaluation of structure-property relationships and pharmacokinetics in 6-(hetero)aryl-substituted matched pair analogs of amiloride and 5-(N,N-hexamethylene)amiloride.
Buckley BJ, Aboelela A, Majed H, Bujaroski RS, White KL, Powell AK, Wang W, Katneni K, Saunders J, Shackleford DM, Charman SA, Cook GM, Kelso MJ, Ranson M. Buckley BJ, et al. Among authors: wang w. Bioorg Med Chem. 2021 May 1;37:116116. doi: 10.1016/j.bmc.2021.116116. Epub 2021 Mar 23. Bioorg Med Chem. 2021. PMID: 33799173
MFMGP: an integrated machine learning fusion model for genomic prediction.
Zhang C, Liang Q, Yu Y, Jin S, Huang J, Xu Z, Liu E, Wang W, Zhang F, Liu F, Shi Y, Li F, Li Z, Jin S, Li M. Zhang C, et al. Among authors: wang w. Plant Biotechnol J. 2025 Jan 11. doi: 10.1111/pbi.14532. Online ahead of print. Plant Biotechnol J. 2025. PMID: 39799387 No abstract available.
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