Literature DB >> 30019924

Rational application of drug promiscuity in medicinal chemistry.

Yicheng Mei1, Baowei Yang2.   

Abstract

'Drug promiscuity' refers to a drug that can act on multiple molecular targets, exhibiting similar or different pharmacological effects. Drugs may interact with unwanted targets, leading to off-target effects (one of the main reasons for side effects). Thus, intervention to prevent off-target effects in the early stages of drug discovery could reduce the risk of failure. The conversion between target and off-target effects is important for drug repurposing. Drug repurposing strategies could reduce research and development costs. This review details the research progress in the rational application of drug promiscuity for the discovery of multi-target drugs, drug repurposing and improving druggability in medicinal chemistry over the last 5 years.

Keywords:  druggability; multi-target drug; polypharmacology; promiscuity;  drug repurposing

Mesh:

Substances:

Year:  2018        PMID: 30019924     DOI: 10.4155/fmc-2018-0018

Source DB:  PubMed          Journal:  Future Med Chem        ISSN: 1756-8919            Impact factor:   3.808


  8 in total

1.  Data structures for computational compound promiscuity analysis and exemplary applications to inhibitors of the human kinome.

Authors:  Filip Miljković; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2019-12-02       Impact factor: 3.686

Review 2.  Epigenetic polypharmacology: A new frontier for epi-drug discovery.

Authors:  Daniela Tomaselli; Alessia Lucidi; Dante Rotili; Antonello Mai
Journal:  Med Res Rev       Date:  2019-06-20       Impact factor: 12.944

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

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

4.  Exploration of interaction scoring criteria in the CANDO platform.

Authors:  Zackary Falls; William Mangione; James Schuler; Ram Samudrala
Journal:  BMC Res Notes       Date:  2019-06-07

5.  Repositioning Dequalinium as Potent Muscarinic Allosteric Ligand by Combining Virtual Screening Campaigns and Experimental Binding Assays.

Authors:  Angelica Mazzolari; Silvia Gervasoni; Alessandro Pedretti; Laura Fumagalli; Rosanna Matucci; Giulio Vistoli
Journal:  Int J Mol Sci       Date:  2020-08-19       Impact factor: 5.923

Review 6.  Role of Oxytocin and Vasopressin in Neuropsychiatric Disorders: Therapeutic Potential of Agonists and Antagonists.

Authors:  Valeska Cid-Jofré; Macarena Moreno; Miguel Reyes-Parada; Georgina M Renard
Journal:  Int J Mol Sci       Date:  2021-11-08       Impact factor: 5.923

7.  Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays.

Authors:  Christian Feldmann; Dimitar Yonchev; Jürgen Bajorath
Journal:  Future Sci OA       Date:  2021-03-11

8.  Fine-tuning of a generative neural network for designing multi-target compounds.

Authors:  Thomas Blaschke; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2021-05-28       Impact factor: 4.179

  8 in total

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