Pathway-centric structure-based multi-target compound screening for anti-virulence drug repurposing

L Xie, L Xie - International Journal of Molecular Sciences, 2019 - mdpi.com
The emergence of superbugs that are resistant to last-resort antibiotics poses a serious
threat to human health, and we are in a “race against time to develop new antibiotics.” New …

Pyrazolopyridine-based kinase inhibitors for anti-cancer targeted therapy

P Halder, A Rai, V Talukdar, P Das… - RSC Medicinal …, 2024 - pubs.rsc.org
The unmet medical need for the treatment of cancer continues to challenge the biomedical
reearch community. The advent of targeted therapy significantly improved therapeutic …

[HTML][HTML] An overview of structure-based activity outcomes of pyran derivatives against Alzheimer's disease

FA Almalki - Saudi Pharmaceutical Journal, 2023 - Elsevier
Pyran is a heterocyclic group containing oxygen that possesses a variety of pharmacological
effects. Pyran is also one of the most prevalent structural subunits in natural products, such …

Bioactive pyrrole-based compounds with target selectivity

GL Petri, V Spano, R Spatola, R Holl… - European journal of …, 2020 - Elsevier
The discovery of novel synthetic compounds with drug-like properties is an ongoing
challenge in medicinal chemistry. Natural products have inspired the synthesis of …

Recent advances in the development of pyrazole derivatives as anticancer agents

Y Zhang, C Wu, N Zhang, R Fan, Y Ye, J Xu - International Journal of …, 2023 - mdpi.com
Pyrazole derivatives, as a class of heterocyclic compounds, possess unique chemical
structures that confer them with a broad spectrum of pharmacological activities. They have …

hCB2 ligand-interaction landscape: cysteine residues critical to biarylpyrazole antagonist binding motif and receptor modulation

RW Mercier, Y Pei, L Pandarinathan, DR Janero… - Chemistry & biology, 2010 - cell.com
The human cannabinoid 2 GPCR (hCB2) is a prime therapeutic target. To define potential
cysteine-related binding motifs critical to hCB2-ligand interaction, a library of hCB2 cysteine …

Synthesis and biopharmaceutical evaluation of imatinib analogues featuring unusual structural motifs

KC Nicolaou, D Vourloumis… - …, 2016 - Wiley Online Library
A convenient synthesis of imatinib, a potent inhibitor of ABL1 kinase and widely prescribed
drug for the treatment of a variety of leukemias, was devised and applied to the construction …

Pyridine: the scaffolds with significant clinical diversity

S De, AK SK, SK Shah, S Kazi, N Sarkar, S Banerjee… - Rsc Advances, 2022 - pubs.rsc.org
The nitrogen-bearing heterocycle pyridine in its several analogous forms occupies an
important position as a precious source of clinically useful agents in the field of medicinal …

Crystal structures of ABL-related gene (ABL2) in complex with imatinib, tozasertib (VX-680), and a type I inhibitor of the triazole carbothioamide class

E Salah, E Ugochukwu, AJ Barr… - Journal of medicinal …, 2011 - ACS Publications
ABL2 (also known as ARG (ABL related gene)) is closely related to the well-studied Abelson
kinase cABL. ABL2 is involved in human neoplastic diseases and is deregulated in solid …

Synthesis and vectorial functionalisation of pyrazolo [3, 4-c] pyridines

EV Bedwell, F da Silva Emery, GC Clososki, PG Steel - RSC advances, 2023 - pubs.rsc.org
Heterocycles are a cornerstone of fragment-based drug discovery (FBDD) due to their
prevalence in biologically active compounds. However, novel heterocyclic fragments are …