Thiazolidinedione “Magic Bullets” Simultaneously Targeting PPARγ and HDACs: Design, Synthesis, and Investigations of their In Vitro and In Vivo Antitumor Effects

K Tilekar, JD Hess, N Upadhyay… - Journal of medicinal …, 2021 - ACS Publications
Monotargeting anticancer agents suffer from resistance and target nonspecificity concerns,
which can be tackled with a multitargeting approach. The combined treatment with HDAC …

Rational Design of PARP1/c-Met Dual Inhibitors for Overcoming PARP1 Inhibitor Resistance Induced by c-Met Overexpression

Z Sun, L Li, B Zhai, M Hu, L Huang… - Journal of Medicinal …, 2024 - ACS Publications
The emergence of resistance to PARP1 inhibitors poses a current therapeutic challenge,
necessitating the development of novel strategies to overcome this obstacle. The present …

Discovery and evaluation of cytisine N-isoflavones as novel EGFR/HER2 dual inhibitors

Y Wang, X Yin, L Chen, Z Yin, Z Zuo - Bioorganic Chemistry, 2022 - Elsevier
Aberrant signaling of EGFR (ErbB) family members, in particular epidermal growth factor
receptor (EGFR) and human epidermal growth factor 2 (HER2), is associated with the …

Modern tools and techniques in computer-aided drug design

T Anwar, P Kumar, AU Khan - Molecular docking for computer-aided drug …, 2021 - Elsevier
Computer-aided drug design (CADD) has become an effective tool for the development of
therapeutics. CADD approaches parallelly assist the main drug discovery pipeline in many …

Recent advances in the discovery of multitargeted tyrosine kinase inhibitors as anticancer agents

T Guo, S Ma - ChemMedChem, 2021 - Wiley Online Library
The treatment of cancer has been one of the most significant challenges for the medical
field. Further research on the signal transduction pathway of tumor cells is driving the rapid …

Synthesis and antitumor activity of new tetrahydrocurcumin derivatives via click reaction

M Duan, A Mahal, B Mohammed, Y Zhu… - Natural Product …, 2022 - Taylor & Francis
Three new derivatives of tetrahydrocurcumin 6, 7 and 9 have been prepared as potent
antitumor agents using copper (II)-catalyzed 'click chemistry'. Their structures were identified …

A novel dual HDAC and HSP90 inhibitor, MPT0G449, downregulates oncogenic pathways in human acute leukemia in vitro and in vivo

YW Wu, MW Chao, HJ Tu, LC Chen, KC Hsu, JP Liou… - Oncogenesis, 2021 - nature.com
Acute leukemia is a highly heterogeneous disease; therefore, combination therapy is
commonly used for patient treatment. Drug–drug interaction is a major concern of combined …

Steering the antitumor drug discovery campaign towards structurally diverse indolines

A Thakur, A Singh, N Kaur, R Ojha, K Nepali - Bioorganic Chemistry, 2020 - Elsevier
Indoline framework is often perpended as a privileged heterocycle present in medicinally
valuable compounds of natural and synthetic origin. This review article presents the rational …

Dual-target inhibitors based on ERα: Novel therapeutic approaches for endocrine resistant breast cancer

S Xiong, K Song, H Xiang, G Luo - European Journal of Medicinal …, 2024 - Elsevier
Estrogen receptor alpha (ERα), a nuclear transcription factor, is a well-validated therapeutic
target for more than 70% of all breast cancers (BCs). Antagonizing ERα either by selective …

Continuous evaluation of ligand protein predictions: a weekly community challenge for drug docking

JR Wagner, CP Churas, S Liu, RV Swift, M Chiu… - Structure, 2019 - cell.com
Docking calculations can accelerate drug discovery by predicting the bound poses of
ligands for a targeted protein. However, it is not clear which docking methods work best …