Drug design on quantum computers

R Santagati, A Aspuru-Guzik, R Babbush, M Degroote… - Nature Physics, 2024 - nature.com
The promised industrial applications of quantum computers often rest on their anticipated
ability to perform accurate, efficient quantum chemical calculations. Computational drug …

Hallmarks of anticancer and antimicrobial activities of corroles

VK Sharma, YG Assaraf, Z Gross - Drug Resistance Updates, 2023 - Elsevier
Corroles provide a remarkable opportunity for the development of cancer theranostic agents
among other porphyrinoids. While most transition metal corrole complexes are only …

Dithiocarbazate–FeIII, −CoIII, −NiII, and −ZnII Complexes: Design, Synthesis, Structure, and Anticancer Evaluation

Y Gou, X Jia, LX Hou, JG Deng, GJ Huang… - Journal of Medicinal …, 2022 - ACS Publications
Non-platinum-metal complexes show great potential as anticancer agents. Herein, a series
of dithiocarbazate non-Pt-metal complexes, including [FeIII (L) 2]· Cl· 2H2O 1,[CoIII (L) 2] …

[HTML][HTML] Lung cancer chemotherapy using nanoparticles: enhanced target ability of redox-responsive and pH-sensitive cisplatin prodrug and paclitaxel

B Wang, W Hu, H Yan, G Chen, Y Zhang, J Mao… - Biomedicine & …, 2021 - Elsevier
Platinum-based combination therapy is more effective and less toxic, but lack of targeting,
and is not capable to enrich in the tumor zone. To obstacle these drawbacks, prodrug and …

Enhancing Bioactivity of N,N,N-Chelating Rhodium(III) Complexes with Ionic Liquids: Toward Targeted Cancer Therapy

A Caković, D Ćoćić, M Živanović… - Journal of Medicinal …, 2024 - ACS Publications
This study investigates the potential of using ionic liquids as cosolvents to enhance the
solubility and activity of poorly soluble rhodium (III) complexes, particularly those with diene …

Multitarget-directed gallium (III) tris (acyl-pyrazolonate) complexes induce ferroptosis in cancer cells via dysregulation of cell redox homeostasis and inhibition of the …

D Romani, F Marchetti, C Di Nicola… - Journal of Medicinal …, 2023 - ACS Publications
A series of Ga (Q n) 3 coordination compounds have been synthesized, where HQ n is 1-
phenyl-3-methyl-4-RC (═ O)-pyrazolo-5-one. The complexes have been characterized …

Photodynamic Therapy with Targeted Release of Boron-Dipyrromethene Dye from Cobalt (III) Prodrugs in Red Light

A Jana, S Sahoo, S Paul, S Sahoo… - Inorganic …, 2024 - ACS Publications
Boron-dipyrromethene (BODIPY) dyes are promising photosensitizers for cellular imaging
and photodynamic therapy (PDT) owing to their excellent photophysical properties and the …

From the Discovery of Targets to Delivery Systems: How to Decipher and Improve the Metallodrugs' Actions at a Molecular Level

I Iacobucci, S La Manna, I Cipollone, V Monaco… - Pharmaceutics, 2023 - mdpi.com
Metals are indispensable for the life of all organisms, and their dysregulation leads to
various disorders due to the disruption of their homeostasis. Nowadays, various transition …

State of art in the chemistry of nucleoside-based Pt (II) complexes

S D'Errico, AP Falanga, F Greco, G Piccialli… - Bioorganic …, 2023 - Elsevier
After the fortuitous discovery of the anticancer properties of cisplatin, many Pt (II) complexes
have been synthesized, to obtain less toxic leads which could overcome the resistance …

Tumor microenvironment-responsive drug self-delivery systems to treat cancer and overcome MDR

LM Li, YP Xie, YR Qin, HP Chu, H Xie, DJ Zang, T Liu - Rare Metals, 2024 - Springer
Tumor microenvironment-responsive drug self-delivery systems utilize tumor
microenvironment-responsive chemical bonds to link anti-tumor drugs, exploiting the …