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22 results

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Page 1
Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space.
Piticchio SG, Martínez-Cartró M, Scaffidi S, Rachman M, Rodriguez-Arevalo S, Sanchez-Arfelis A, Escolano C, Picaud S, Krojer T, Filippakopoulos P, von Delft F, Galdeano C, Barril X. Piticchio SG, et al. Among authors: rachman m. J Med Chem. 2021 Dec 23;64(24):17887-17900. doi: 10.1021/acs.jmedchem.1c01108. Epub 2021 Dec 13. J Med Chem. 2021. PMID: 34898210
Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Talibov VO, Fabini E, FitzGerald EA, Tedesco D, Cederfeldt D, Talu MJ, Rachman MM, Mihalic F, Manoni E, Naldi M, Sanese P, Forte G, Lepore Signorile M, Barril X, Simone C, Bartolini M, Dobritzsch D, Del Rio A, Danielson UH. Talibov VO, et al. Among authors: rachman mm. Chembiochem. 2021 May 4;22(9):1597-1608. doi: 10.1002/cbic.202000736. Epub 2021 Feb 11. Chembiochem. 2021. PMID: 33400854 Free PMC article.
Discovery of a novel kinase hinge binder fragment by dynamic undocking.
Rachman M, Bajusz D, Hetényi A, Scarpino A, Merő B, Egyed A, Buday L, Barril X, Keserű GM. Rachman M, et al. RSC Med Chem. 2020 Mar 4;11(5):552-558. doi: 10.1039/c9md00519f. eCollection 2020 May 1. RSC Med Chem. 2020. PMID: 33479656 Free PMC article.
Fragment-to-lead tailored in silico design.
Rachman M, Piticchio S, Majewski M, Barril X. Rachman M, et al. Drug Discov Today Technol. 2021 Dec;40:44-57. doi: 10.1016/j.ddtec.2021.08.005. Epub 2021 Sep 3. Drug Discov Today Technol. 2021. PMID: 34916022 Review.
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Gahbauer S, Correy GJ, Schuller M, Ferla MP, Doruk YU, Rachman M, Wu T, Diolaiti M, Wang S, Neitz RJ, Fearon D, Radchenko DS, Moroz YS, Irwin JJ, Renslo AR, Taylor JC, Gestwicki JE, von Delft F, Ashworth A, Ahel I, Shoichet BK, Fraser JS. Gahbauer S, et al. Among authors: rachman m. Proc Natl Acad Sci U S A. 2023 Jan 10;120(2):e2212931120. doi: 10.1073/pnas.2212931120. Epub 2023 Jan 4. Proc Natl Acad Sci U S A. 2023. PMID: 36598939 Free PMC article.
Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning.
Correy GJ, Rachman M, Togo T, Gahbauer S, Doruk YU, Stevens M, Jaishankar P, Kelley B, Goldman B, Schmidt M, Kramer T, Ashworth A, Riley P, Shoichet BK, Renslo AR, Walters WP, Fraser JS. Correy GJ, et al. Among authors: rachman m. bioRxiv [Preprint]. 2024 Aug 26:2024.08.25.609621. doi: 10.1101/2024.08.25.609621. bioRxiv. 2024. PMID: 39253507 Free PMC article. Preprint.
The Mac1 ADP-ribosylhydrolase is a Therapeutic Target for SARS-CoV-2.
Suryawanshi RK, Jaishankar P, Correy GJ, Rachman MM, O'Leary PC, Taha TY, Zapatero-Belinchón FJ, McCavittMalvido M, Doruk YU, Stevens MGV, Diolaiti ME, Jogalekar MP, Richards AL, Montano M, Rosecrans J, Matthay M, Togo T, Gonciarz RL, Gopalkrishnan S, Neitz RJ, Krogan NJ, Swaney DL, Shoichet BK, Ott M, Renslo AR, Ashworth A, Fraser JS. Suryawanshi RK, et al. Among authors: rachman mm. bioRxiv [Preprint]. 2024 Aug 29:2024.08.08.606661. doi: 10.1101/2024.08.08.606661. bioRxiv. 2024. PMID: 39149230 Free PMC article. Preprint.
Evaluating Dental Arch Relationships in Indonesian Patients with Operated Bilateral Cleft Lip and Palate Using Modified Huddart/Bodenham Index and Bauru-bilateral cleft lip and palate (BCLP) Yardstick.
Ariawan D, Rachman MA, Aini N, Hak MS, Julia V, Sulistyani LD, Nakamura N. Ariawan D, et al. Among authors: rachman ma. J Clin Exp Dent. 2024 Mar 1;16(3):e292-e299. doi: 10.4317/jced.61121. eCollection 2024 Mar. J Clin Exp Dent. 2024. PMID: 38600928 Free PMC article.
22 results