Pyrazolopyridine-based kinase inhibitors for anti-cancer targeted therapy

Halder, Pallabi; Rai, Anubhav; Talukdar, Vishal; Das, Parthasarathi; Lakkaniga, Naga Rajiv

doi:10.1039/d4md00003j

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Preprint1

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 106 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Discovery of selective LATS inhibitors via scaffold hopping: enhancing drug-likeness and kinase selectivity for potential applications in regenerative medicine

Issabayeva,

Kang,

Choi

et al. 2024

RSC Med. Chem.

View full text Add to dashboard Cite

show abstract

Discovery of selective LATS inhibitors via scaffold hopping: enhancing drug-likeness and kinase selectivity for potential applications in regenerative medicine

Issabayeva,

Kang,

Choi

et al. 2024

RSC Med. Chem.

View full text Add to dashboard Cite

show abstract

Synthesis, Biological Properties, and Molecular Docking Studies of Pyrazolopyridine and Isoxazolopyridine Derivatives

Çelikoglu,

Gul,

Pelit

2024

Preprint

View full text Add to dashboard Cite

Pyrazolopyridine and isoxazolopyridine derivatives were synthesized in a one-pot procedure from indan-1,3-dione, aromatic aldehydes, and 1,3-dimethyl-1H-pyrazol-5-amine or 5-amino-3-methylisoxazole in the presence of eco-friendly thiamine hydrochloride or phase transfer catalysts under sonication. Tetrabutylammonium bromide and tetraethylammonium tetrafluoroborate were found to be the most efficient catalysts, with 69–92% yields in short reaction times. The interaction of human serum albumin (HSA) with the synthesized pyrazolopyridine and isoxazolopyridine derivatives were studied by examining the fluorescence quenching once the compound-albumin complex is formed. The Stern-Volmer equation was used to evaluate the binding parameters. Compound 4g showed the highest fluorescence quenching efficiency. DFT and molecular docking studies were also carried out for the synthesized compounds. In our study, DFT-based calculations were used to investigate changes in electron density as visualized through counter maps, electrostatic potential surface maps, and frontier orbitals. PDB structures 3V03, 4OR0, and 8EC1, representing serum albumin transport proteins, were chosen for docking studies. Additionally, in silico investigations on the DNA/bovine serum albumin (BSA) binding activity of the compounds were conducted. The results exhibited that all the synthesized compounds inhibited different activities of the transferred albumin. Compound 4g exhibited the highest binding affinity towards 3V03 (A and B chains) with a binding energy of -8.50 kcal/mol.

show abstract

Pyrazolopyridine-based kinase inhibitors for anti-cancer targeted therapy

Abstract: The unmet medical need for the treatment of cancer continues to challenge the biomedical reearch community. The advent of targeted therapy significantly improved therapeutic outcomes. Drug discovery and development efforts...

Cited by 2 publications

References 106 publications

Discovery of selective LATS inhibitors via scaffold hopping: enhancing drug-likeness and kinase selectivity for potential applications in regenerative medicine

Discovery of selective LATS inhibitors via scaffold hopping: enhancing drug-likeness and kinase selectivity for potential applications in regenerative medicine

Synthesis, Biological Properties, and Molecular Docking Studies of Pyrazolopyridine and Isoxazolopyridine Derivatives

Contact Info

Product

Resources

About