Moira Rachman, PhD
Postdoctoral Scholar
Pharmaceutical Chemistry
School of Pharmacy

Publications (11)

Top publication keywords:
Pharmaceutical PreparationsRecombinant ProteinsLigandsEnzyme InhibitorsHSP90 Heat-Shock ProteinsProto-Oncogene Proteins p21(ras)Protein BindingBinding SitesDrug DiscoveryJanus Kinase 3Histone-Lysine N-MethyltransferaseProteinsMolecular Docking SimulationSmall Molecule LibrariesReceptors, G-Protein-Coupled

• The Mac1 ADP-ribosylhydrolase is a Therapeutic Target for SARS-CoV-2.
  bioRxiv : the preprint server for biology 2024 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 …
• Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning.
  bioRxiv : the preprint server for biology 2024 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
• Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
  Proceedings of the National Academy of Sciences of the United States of America 2023 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, …
• Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
  Nature chemical biology 2022 Liu Y, Cao C, Huang XP, Gumpper RH, Rachman MM, Shih SL, Krumm BE, Zhang S, Shoichet BK, Fay JF, Roth BL
• Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2.
  bioRxiv : the preprint server for biology 2022 Gahbauer S, Correy GJ, Schuller M, Ferla MP, Doruk YU, Rachman M, Wu T, Diolaiti M, Wang S, Neitz RJ, Fearon D, Radchenko D, Moroz Y, Irwin JJ, Renslo AR, Taylor JC, Gestwicki JE, von Delft F, …

Show all (6 more) Hide

• Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space.
  Journal of medicinal chemistry 2021 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
• Fragment-to-lead tailored in silico design.
  Drug discovery today. Technologies 2021 Rachman M, Piticchio S, Majewski M, Barril X
• Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
  Chembiochem : a European journal of chemical biology 2021 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, …
• Discovery of a novel kinase hinge binder fragment by dynamic undocking.
  RSC medicinal chemistry 2020 Rachman M, Bajusz D, Hetényi A, Scarpino A, Mero B, Egyed A, Buday L, Barril X, Keseru GM
• DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent Binders.
  ChemMedChem 2019 Rachman M, Scarpino A, Bajusz D, Pálfy G, Vida I, Perczel A, Barril X, Keseru GM
• Predicting how drug molecules bind to their protein targets.
  Current opinion in pharmacology 2018 Rachman MM, Barril X, Hubbard RE