Pyrimidine: An elite heterocyclic leitmotif in drug discovery‐synthesis and biological activity

Author(s):  
Sahaya Nadar ◽  
Tabassum Khan
2008 ◽  
Vol 7 (1) ◽  
pp. 84-99 ◽  
Author(s):  
Kishor M. Wasan ◽  
Dion R. Brocks ◽  
Stephen D. Lee ◽  
Kristina Sachs-Barrable ◽  
Sheila J. Thornton

2017 ◽  
Vol 61 (9) ◽  
Author(s):  
Sandra Duffy ◽  
Melissa L. Sykes ◽  
Amy J. Jones ◽  
Todd B. Shelper ◽  
Moana Simpson ◽  
...  

ABSTRACT Open-access drug discovery provides a substantial resource for diseases primarily affecting the poor and disadvantaged. The open-access Pathogen Box collection is comprised of compounds with demonstrated biological activity against specific pathogenic organisms. The supply of this resource by the Medicines for Malaria Venture has the potential to provide new chemical starting points for a number of tropical and neglected diseases, through repurposing of these compounds for use in drug discovery campaigns for these additional pathogens. We tested the Pathogen Box against kinetoplastid parasites and malaria life cycle stages in vitro. Consequently, chemical starting points for malaria, human African trypanosomiasis, Chagas disease, and leishmaniasis drug discovery efforts have been identified. Inclusive of this in vitro biological evaluation, outcomes from extensive literature reviews and database searches are provided. This information encompasses commercial availability, literature reference citations, other aliases and ChEMBL number with associated biological activity, where available. The release of this new data for the Pathogen Box collection into the public domain will aid the open-source model of drug discovery. Importantly, this will provide novel chemical starting points for drug discovery and target identification in tropical disease research.


2017 ◽  
Author(s):  
Jaak Simm ◽  
Günter Klambauer ◽  
Adam Arany ◽  
Marvin Steijaert ◽  
Jörg Kurt Wegner ◽  
...  

We repurpose a High-Throughput (cell) Imaging (HTI) screen of a glucocorticoid receptor assay to predict target protein activity in multiple other seemingly unrelated assays. In two ongoing drug discovery projects, our repurposing approach increased hit rates by 60- to 250-fold over that of the primary project assays while increasing the chemical structure diversity of the hits. Our results suggest that data from available HTI screens are a rich source of information that can be reused to empower drug discovery efforts.


2021 ◽  
Vol 9 ◽  
Author(s):  
Agnieszka Staśkiewicz ◽  
Patrycja Ledwoń ◽  
Paolo Rovero ◽  
Anna Maria Papini ◽  
Rafal Latajka

Peptidomimetics play a fundamental role in drug design due to their preferential properties regarding natural peptides. In particular, compounds possessing nitrogen-containing heterocycles have been intensively studied in recent years. The triazolyl moiety incorporation decreases the molecule susceptibility to enzymatic degradation, reduction, hydrolysis, and oxidation. In fact, peptides containing triazole rings are a typical example of peptidomimetics. They have all the advantages over classic peptides. Both efficient synthetic methods and biological activity make these systems an interesting and promising object of research. Peptide triazole derivatives display a diversity of biological properties and can be obtained via numerous synthetic strategies. In this review, we have highlighted the importance of the triazole-modified peptidomimetics in the field of drug design. We present an overview on new achievements in triazolyl-containing peptidomimetics synthesis and their biological activity as inhibitors of enzymes or against cancer, viruses, bacteria, or fungi. The relevance of above-mentioned compounds was confirmed by their comparison with unmodified peptides.


2020 ◽  
Vol 189 ◽  
pp. 112087 ◽  
Author(s):  
Mingying Wang ◽  
Haonan Li ◽  
Weiwei Liu ◽  
Hao Cao ◽  
Xu Hu ◽  
...  

MedChemComm ◽  
2018 ◽  
Vol 9 (11) ◽  
pp. 1803-1817 ◽  
Author(s):  
Khemchand Surana ◽  
Bharatkumar Chaudhary ◽  
Monika Diwaker ◽  
Satyasheel Sharma

Diaryl ketones are an important scaffold in drug discovery due to their prevalence in naturally occurring bioactive compounds. This review discusses molecules containing the benzophenone moiety that have potent biological activity.


2017 ◽  
Vol 56 (2) ◽  
Author(s):  
José Luis Medina-Franco ◽  
Jacob Waddell

Public compound databases annotated with biological activity are increasingly being used in drug discovery programs. A prominent example is of such databases is PubChem. Herein, we introduce an approach to systematically characterize the structure-bioassay activity relationships in PubChem using the concept of <em>bioassay activity</em> landscape. This strategy is general and can be applied to any data set screened across multiple bioassays. We also present a visual representation of the chemical space of an in-house data set using a recently developed web-based public tool.


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