Small-molecule dual inhibitors targeting heat shock protein 90 for cancer targeted therapy

X Xie, N Zhang, X Li, H Huang, C Peng, W Huang… - Bioorganic …, 2023 - Elsevier
Heat shock protein 90, also known as Hsp90, is an extensively preserved molecular
chaperone that performs a critical function in organizing various biological pathways and …

Insights into fourth generation selective inhibitors of (C797S) EGFR mutation combating non-small cell lung cancer resistance: a critical review

MA Mansour, AM AboulMagd, SH Abbas… - RSC …, 2023 - pubs.rsc.org
Lung cancer is the second most common cause of morbidity and mortality among cancer
types worldwide, with non-small cell lung cancer (NSCLC) representing the majority of most …

Multi-and many-objective optimization: present and future in de novo drug design

JS Angelo, IA Guedes, HJC Barbosa… - Frontiers in …, 2023 - frontiersin.org
de novo Drug Design (dnDD) aims to create new molecules that satisfy multiple conflicting
objectives. Since several desired properties can be considered in the optimization process …

Pareto optimization to accelerate multi-objective virtual screening

JC Fromer, DE Graff, CW Coley - Digital Discovery, 2024 - pubs.rsc.org
The discovery of therapeutic molecules is fundamentally a multi-objective optimization
problem. One formulation of the problem is to identify molecules that simultaneously exhibit …

A supramolecular approach to structure-based design with a focus on synthons hierarchy in ornithine-derived ligands: Review, synthesis, experimental and in silico …

J Bojarska, M Remko, M Breza, ID Madura… - Molecules, 2020 - mdpi.com
The success of innovative drugs depends on an interdisciplinary and holistic approach to
their design and development. The supramolecular architecture of living systems is …

Recent progress in cancer therapy based on the combination of ferroptosis with photodynamic therapy

Z Gao, S Zheng, K Kamei, C Tian - Acta Materia Medica, 2022 - scienceopen.com
Current anticancer treatments have many limitations to achieving high efficacy. Hence, novel
strategies that broaden therapeutic prospects must urgently be developed. Ferroptosis is an …

Human serum albumin-platinum (II) agent nanoparticles inhibit tumor growth through multimodal action against the tumor microenvironment

S Xu, W Luo, M Zhu, L Zhao, L Gao… - Molecular …, 2023 - ACS Publications
To overcome the limitations of traditional platinum (Pt)-based drugs and further improve the
targeting ability and therapeutic efficacy in vivo, we proposed to design a human serum …

Histone deacetylase inhibitors as multitarget ligands: new players in Alzheimer's disease drug discovery?

A De Simone, A Milelli - ChemMedChem, 2019 - Wiley Online Library
Histone deacetylase inhibitors (HDACIs) are responsible for controlling gene expression by
modulating the acetylation status of histone proteins. Furthermore, they modulate the activity …

Combining cisplatin and a STING agonist into one molecule for metalloimmunotherapy of cancer

S Zhang, D Song, W Yu, J Li, X Wang, Y Li… - National Science …, 2024 - academic.oup.com
Mounting evidence suggests that strategies combining DNA-damaging agents and
stimulator of interferon genes (STING) agonists are promising cancer therapeutic regimens …

Recent advances in multitarget-directed ligands via in silico drug discovery

K Maddeboina, B Yada, S Kumari, C McHale, D Pal… - Drug Discovery …, 2024 - Elsevier
To combat multifactorial refractory diseases, such as cancer, cardiovascular, and
neurodegenerative diseases, multitarget drugs have become an emerging area of research …