Simeonov A - Search Results

1

Identification and Profiling of a Novel Diazaspiro[3.4]octane Chemical Series Active against Multiple Stages of the Human Malaria Parasite Plasmodium falciparum and Optimization Efforts.

Le Manach C, Dam J, Woodland JG, Kaur G, Khonde LP, Brunschwig C, Njoroge M, Wicht KJ, Horatscheck A, Paquet T, Boyle GA, Gibhard L, Taylor D, Lawrence N, Yeo T, Mok S, Eastman RT, Dorjsuren D, Talley DC, Guo H, Simeonov A, Reader J, van der Watt M, Erlank E, Venter N, Zawada JW, Aswat A, Nardini L, Coetzer TL, Lauterbach SB, Bezuidenhout BC, Theron A, Mancama D, Koekemoer LL, Birkholtz LM, Wittlin S, Delves M, Ottilie S, Winzeler EA, von Geldern TW, Smith D, Fidock DA, Street LJ, Basarab GS, Duffy J, Chibale K. Le Manach C, et al. Among authors: simeonov a. J Med Chem. 2021 Feb 25;64(4):2291-2309. doi: 10.1021/acs.jmedchem.1c00034. Epub 2021 Feb 12. J Med Chem. 2021. PMID: 33573376

2

Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.

Babaoglu K, Simeonov A, Irwin JJ, Nelson ME, Feng B, Thomas CJ, Cancian L, Costi MP, Maltby DA, Jadhav A, Inglese J, Austin CP, Shoichet BK. Babaoglu K, et al. Among authors: simeonov a. J Med Chem. 2008 Apr 24;51(8):2502-11. doi: 10.1021/jm701500e. Epub 2008 Mar 12. J Med Chem. 2008. PMID: 18333608 Free PMC article.

3

Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease.

Jadhav A, Ferreira RS, Klumpp C, Mott BT, Austin CP, Inglese J, Thomas CJ, Maloney DJ, Shoichet BK, Simeonov A. Jadhav A, et al. Among authors: simeonov a. J Med Chem. 2010 Jan 14;53(1):37-51. doi: 10.1021/jm901070c. J Med Chem. 2010. PMID: 19908840 Free PMC article.

4

Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.

Mott BT, Ferreira RS, Simeonov A, Jadhav A, Ang KK, Leister W, Shen M, Silveira JT, Doyle PS, Arkin MR, McKerrow JH, Inglese J, Austin CP, Thomas CJ, Shoichet BK, Maloney DJ. Mott BT, et al. Among authors: simeonov a. J Med Chem. 2010 Jan 14;53(1):52-60. doi: 10.1021/jm901069a. J Med Chem. 2010. PMID: 19908842 Free PMC article.

5

Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.

Ferreira RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ, Shoichet BK. Ferreira RS, et al. Among authors: simeonov a. J Med Chem. 2010 Jul 8;53(13):4891-905. doi: 10.1021/jm100488w. J Med Chem. 2010. PMID: 20540517 Free PMC article.

6

Complementary non-radioactive assays for investigation of human flap endonuclease 1 activity.

Dorjsuren D, Kim D, Maloney DJ, Wilson DM 3rd, Simeonov A. Dorjsuren D, et al. Among authors: simeonov a. Nucleic Acids Res. 2011 Jan;39(2):e11. doi: 10.1093/nar/gkq1082. Epub 2010 Nov 9. Nucleic Acids Res. 2011. PMID: 21062821 Free PMC article.

7

Discovery of potent and selective inhibitors of human platelet-type 12- lipoxygenase.

Kenyon V, Rai G, Jadhav A, Schultz L, Armstrong M, Jameson JB 2nd, Perry S, Joshi N, Bougie JM, Leister W, Taylor-Fishwick DA, Nadler JL, Holinstat M, Simeonov A, Maloney DJ, Holman TR. Kenyon V, et al. Among authors: simeonov a. J Med Chem. 2011 Aug 11;54(15):5485-97. doi: 10.1021/jm2005089. Epub 2011 Jul 8. J Med Chem. 2011. PMID: 21739938 Free PMC article.

8

Synthesis, biological evaluation, and structure-activity relationships of a novel class of apurinic/apyrimidinic endonuclease 1 inhibitors.

Rai G, Vyjayanti VN, Dorjsuren D, Simeonov A, Jadhav A, Wilson DM 3rd, Maloney DJ. Rai G, et al. Among authors: simeonov a. J Med Chem. 2012 Apr 12;55(7):3101-12. doi: 10.1021/jm201537d. Epub 2012 Mar 28. J Med Chem. 2012. PMID: 22455312 Free PMC article.

9

Discovery of a novel noniminosugar acid α glucosidase chaperone series.

Xiao J, Westbroek W, Motabar O, Lea WA, Hu X, Velayati A, Zheng W, Southall N, Gustafson AM, Goldin E, Sidransky E, Liu K, Simeonov A, Tamargo RJ, Ribes A, Matalonga L, Ferrer M, Marugan JJ. Xiao J, et al. Among authors: simeonov a. J Med Chem. 2012 Sep 13;55(17):7546-59. doi: 10.1021/jm3005543. Epub 2012 Aug 17. J Med Chem. 2012. PMID: 22834902 Free PMC article.

10

Diverse small molecule inhibitors of human apurinic/apyrimidinic endonuclease APE1 identified from a screen of a large public collection.

Dorjsuren D, Kim D, Vyjayanti VN, Maloney DJ, Jadhav A, Wilson DM 3rd, Simeonov A. Dorjsuren D, et al. Among authors: simeonov a. PLoS One. 2012;7(10):e47974. doi: 10.1371/journal.pone.0047974. Epub 2012 Oct 23. PLoS One. 2012. PMID: 23110144 Free PMC article.

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