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Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives.
Zou L, Spanogiannopoulos P, Pieper LM, Chien HC, Cai W, Khuri N, Pottel J, Vora B, Ni Z, Tsakalozou E, Zhang W, Shoichet BK, Giacomini KM, Turnbaugh PJ. Zou L, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018. doi: 10.1073/pnas.1920483117. Epub 2020 Jun 22. Proc Natl Acad Sci U S A. 2020. PMID: 32571913 Free PMC article.
Structure-based discovery of beta2-adrenergic receptor ligands.
Kolb P, Rosenbaum DM, Irwin JJ, Fung JJ, Kobilka BK, Shoichet BK. Kolb P, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2009 Apr 21;106(16):6843-8. doi: 10.1073/pnas.0812657106. Epub 2009 Apr 2. Proc Natl Acad Sci U S A. 2009. PMID: 19342484 Free PMC article.
Docking for fragment inhibitors of AmpC beta-lactamase.
Teotico DG, Babaoglu K, Rocklin GJ, Ferreira RS, Giannetti AM, Shoichet BK. Teotico DG, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2009 May 5;106(18):7455-60. doi: 10.1073/pnas.0813029106. Epub 2009 Apr 22. Proc Natl Acad Sci U S A. 2009. PMID: 19416920 Free PMC article.
Identifying mechanism-of-action targets for drugs and probes.
Gregori-Puigjané E, Setola V, Hert J, Crews BA, Irwin JJ, Lounkine E, Marnett L, Roth BL, Shoichet BK. Gregori-Puigjané E, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2012 Jul 10;109(28):11178-83. doi: 10.1073/pnas.1204524109. Epub 2012 Jun 18. Proc Natl Acad Sci U S A. 2012. PMID: 22711801 Free PMC article.
Fragment-guided design of subnanomolar β-lactamase inhibitors active in vivo.
Eidam O, Romagnoli C, Dalmasso G, Barelier S, Caselli E, Bonnet R, Shoichet BK, Prati F. Eidam O, et al. Among authors: shoichet bk. Proc Natl Acad Sci U S A. 2012 Oct 23;109(43):17448-53. doi: 10.1073/pnas.1208337109. Epub 2012 Oct 5. Proc Natl Acad Sci U S A. 2012. PMID: 23043117 Free PMC article.
Prediction and validation of enzyme and transporter off-targets for metformin.
Yee SW, Lin L, Merski M, Keiser MJ, Gupta A, Zhang Y, Chien HC, Shoichet BK, Giacomini KM. Yee SW, et al. Among authors: shoichet bk. J Pharmacokinet Pharmacodyn. 2015 Oct;42(5):463-75. doi: 10.1007/s10928-015-9436-y. Epub 2015 Sep 3. J Pharmacokinet Pharmacodyn. 2015. PMID: 26335661 Free PMC article.
A Molecular Basis for Innovation in Drug Excipients.
Irwin JJ, Pottel J, Zou L, Wen H, Zuk S, Zhang X, Sterling T, Shoichet BK, Lionberger R, Giacomini KM. Irwin JJ, et al. Among authors: shoichet bk. Clin Pharmacol Ther. 2017 Mar;101(3):320-323. doi: 10.1002/cpt.458. Epub 2016 Sep 28. Clin Pharmacol Ther. 2017. PMID: 27557422 Review.
The Recognition of Unrelated Ligands by Identical Proteins.
Pottel J, Levit A, Korczynska M, Fischer M, Shoichet BK. Pottel J, et al. Among authors: shoichet bk. ACS Chem Biol. 2018 Sep 21;13(9):2522-2533. doi: 10.1021/acschembio.8b00443. Epub 2018 Aug 27. ACS Chem Biol. 2018. PMID: 30095890 Free PMC article.
288 results