Molecular modeling strategies of cancer multidrug resistance

G Yalcin-Ozkat - Drug Resistance Updates, 2021 - Elsevier
Cancer remains a leading cause of morbidity and mortality worldwide. Hence, the increase
in cancer cases observed in the elderly population, as well as in children and adolescents …

Structural View of Cryo-Electron Microscopy-Determined ATP-Binding Cassette Transporters in Human Multidrug Resistance

W Fan, K Shao, M Luo - Biomolecules, 2024 - mdpi.com
ATP-binding cassette (ABC) transporters, acting as cellular “pumps,” facilitate solute
translocation through membranes via ATP hydrolysis. Their overexpression is closely tied to …

Perspectives on drug repurposing to overcome cancer multidrug resistance mediated by ABCB1 and ABCG2

CP Wu, SH Hsiao, YS Wu - Drug Resistance Updates, 2023 - Elsevier
The overexpression of the human ATP-binding cassette (ABC) transporters in cancer cells is
a common mechanism involved in developing multidrug resistance (MDR). Unfortunately …

Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: An in silico drug discovery study

MAA Ibrahim, AHM Abdelrahman, EAA Badr… - Molecular Diversity, 2022 - Springer
ATP-binding cassette transporter G2 (ABCG2) is an efflux transporter related to the clinical
multidrug resistance (MDR) phenomenon. Identifying ABCG2 inhibitors could help discover …

Research progress of traditional Chinese medicine as sensitizer in reversing chemoresistance of colorectal cancer

X Lin, X Yang, Y Yang, H Zhang, X Huang - Frontiers in Oncology, 2023 - frontiersin.org
In recent years, the incidences and mortalities from colorectal cancer (CRC) have been
increasing; therefore, there is an urgent need to discover newer drugs that enhance drug …

Homology modelling, vHTS, pharmacophore, molecular docking and molecular dynamics studies for the identification of natural compound-derived inhibitor of MRP3 …

F Olawale, O Iwaloye, K Olofinsan, OM Ogunyemi… - Chemical Papers, 2022 - Springer
The pivotal role of MRP3 protein in acute leukaemia and the efficacy of natural compounds
in cancer treatment have necessitated the current study to identify novel MRP3 inhibitors …

Discovery of AcrAB-TolC pump inhibitors: Virtual screening and molecular dynamics simulation approach

TV Phan, VTV Nguyen, CHH Nguyen… - Journal of …, 2023 - Taylor & Francis
AcrAB-TolC tripartite efflux pump, which belongs to the RND superfamily, is a main multi-
drug efflux system of Escherichia coli (E. coli) because of the broad resistance on various …

The important role of transporter structures in drug disposition, efficacy, and toxicity

T Fu, S Zeng, Q Zheng, F Zhu - Drug Metabolism and Disposition, 2023 - ASPET
The ATP-binding cassette (ABC) and solute carrier (SLC) transporters are critical
determinants of drug disposition, clinical efficacy, and toxicity as they specifically mediate …

Chalcone Derivatives as Potential Inhibitors of P‐Glycoprotein and NorA: An In Silico and In Vitro Study

MT Le, DTT Trinh, TD Ngo… - BioMed Research …, 2022 - Wiley Online Library
The human P‐glycoprotein (P‐gp) and the NorA transporter are the major culprits of
multidrug resistance observed in various bacterial strains and cancer cell lines, by extruding …

In silico approach to identify novel allosteric intracellular antagonist for blocking the interleukin-8/CXCR2 receptor signaling pathway

TTN Tran, QH Tran, CQ Duong… - Journal of …, 2023 - Taylor & Francis
The role of interleukin-8 (IL-8) and its receptor CXCR2 in inflammatory responses and tumor
development and progression has been well documented. Our study aims to discover novel …