Literature DB >> 27061625

Multitarget Drug Discovery and Polypharmacology.

Maria Laura Bolognesi1, Andrea Cavalli2,3.   

Abstract

Promising promiscuity: Guest editors Maria Laura Bolognesi and Andrea Cavalli set the stage for this ChemMedChem Special Issue on Polypharmacology and Multitarget Drugs. They highlight cases in which a departure from the "one target, one drug" paradigm has proven advantageous, with single molecules that can engage two or more targets to address a given pathology. Articles in this issue underscore the importance of focusing ever more attention to polypharmacology in drug discovery efforts.
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Year:  2016        PMID: 27061625     DOI: 10.1002/cmdc.201600161

Source DB:  PubMed          Journal:  ChemMedChem        ISSN: 1860-7179            Impact factor:   3.466


  34 in total

1.  Hedgehog Proteins Consume Steroidal CYP17A1 Antagonists: Potential Therapeutic Significance in Advanced Prostate Cancer.

Authors:  Brandon M Bordeau; Daniel A Ciulla; Brian P Callahan
Journal:  ChemMedChem       Date:  2016-07-20       Impact factor: 3.466

2.  Diflunisal targets the HMGB1/CXCL12 heterocomplex and blocks immune cell recruitment.

Authors:  Federica De Leo; Giacomo Quilici; Mario Tirone; Francesco De Marchis; Valeria Mannella; Chiara Zucchelli; Alessandro Preti; Alessandro Gori; Maura Casalgrandi; Rosanna Mezzapelle; Marco E Bianchi; Giovanna Musco
Journal:  EMBO Rep       Date:  2019-08-14       Impact factor: 8.807

3.  Systematic computational identification of promiscuity cliff pathways formed by inhibitors of the human kinome.

Authors:  Filip Miljković; Martin Vogt; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2019-03-26       Impact factor: 3.686

4.  Factor H-Inspired Design of Peptide Biomarkers of the Complement C3d Protein.

Authors:  Reed E S Harrison; Nehemiah T Zewde; Yogesh B Narkhede; Rohaine V Hsu; Dimitrios Morikis; Valentine I Vullev; Giulia Palermo
Journal:  ACS Med Chem Lett       Date:  2020-02-28       Impact factor: 4.345

5.  Candidate Therapeutics by Screening for Multitargeting Ligands: Combining the CB2 Receptor With CB1, PPARγ and 5-HT4 Receptors.

Authors:  Shayma El-Atawneh; Amiram Goldblum
Journal:  Front Pharmacol       Date:  2022-02-28       Impact factor: 5.810

Review 6.  Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation.

Authors:  Sergio Decherchi; Andrea Cavalli
Journal:  Chem Rev       Date:  2020-10-02       Impact factor: 60.622

7.  Adapting the DeepSARM approach for dual-target ligand design.

Authors:  Atsushi Yoshimori; Huabin Hu; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2021-03-13       Impact factor: 3.686

8.  Introducing the metacore concept for multi-target ligand design.

Authors:  Dagmar Stumpfe; Alexander Hoch; Jürgen Bajorath
Journal:  RSC Med Chem       Date:  2021-04-15

9.  Discovery of potent nucleotide pyrophosphatase/phosphodiesterase3 (NPP3) inhibitors with ancillary carbonic anhydrase inhibition for cancer (immuno)therapy.

Authors:  Sang-Yong Lee; Vigneshwaran Namasivayam; Nader M Boshta; Arianna Perotti; Salahuddin Mirza; Silvia Bua; Claudiu T Supuran; Christa E Müller
Journal:  RSC Med Chem       Date:  2021-06-16

10.  Differentiating Inhibitors of Closely Related Protein Kinases with Single- or Multi-Target Activity via Explainable Machine Learning and Feature Analysis.

Authors:  Christian Feldmann; Jürgen Bajorath
Journal:  Biomolecules       Date:  2022-04-08
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