Frontiers of metal-coordinating drug design
Introduction: The occurrence of metal ions in biomolecules is required to exert vital cellular
functions. Metal-containing biomolecules can be modulated by small-molecule inhibitors …
functions. Metal-containing biomolecules can be modulated by small-molecule inhibitors …
Recent progress in the discovery of next generation inhibitors of aromatase from the structure–function perspective
Human aromatase catalyzes the synthesis of estrogen from androgen with high substrate
specificity. For the past 40 years, aromatase has been a target of intense inhibitor discovery …
specificity. For the past 40 years, aromatase has been a target of intense inhibitor discovery …
Molecular basis for endocrine disruption by pesticides targeting aromatase and estrogen receptor
C Zhang, T Schilirò, M Gea, S Bianchi… - International Journal of …, 2020 - mdpi.com
The intensive use of pesticides has led to their increasing presence in water, soil, and
agricultural products. Mounting evidence indicates that some pesticides may be endocrine …
agricultural products. Mounting evidence indicates that some pesticides may be endocrine …
Enzyme tunnels and gates as relevant targets in drug design
SM Marques, L Daniel, T Buryska… - Medicinal Research …, 2017 - Wiley Online Library
Many enzymes contain tunnels and gates that are essential to their function. Gates
reversibly switch between open and closed conformations and thereby control the traffic of …
reversibly switch between open and closed conformations and thereby control the traffic of …
A computational assay of estrogen receptor α antagonists reveals the key common structural traits of drugs effectively fighting refractory breast cancers
M Pavlin, A Spinello, M Pennati, N Zaffaroni, S Gobbi… - Scientific reports, 2018 - nature.com
Somatic mutations of the Estrogen Receptor α (ERα) occur with an up to 40% incidence in
ER sensitive breast cancer (BC) patients undergoing prolonged endocrine treatments …
ER sensitive breast cancer (BC) patients undergoing prolonged endocrine treatments …
Dynamics insights into the gain of flexibility by Helix-12 in ESR1 as a mechanism of resistance to drugs in breast cancer cell lines
Incidents of breast cancer (BC) are on the rise on a daily basis and have proven to be the
most prevelant cause of death for women in both developed and developing countries …
most prevelant cause of death for women in both developed and developing countries …
Human cytochrome P450 enzymes 5–51 as targets of drugs and natural and environmental compounds: Mechanisms, induction, and inhibition–toxic effects and …
SP Rendic, F Peter Guengerich - Drug metabolism reviews, 2018 - Taylor & Francis
Abstract Cytochrome P450 (P450, CYP) enzymes have long been of interest due to their
roles in the metabolism of drugs, pesticides, pro-carcinogens, and other xenobiotic …
roles in the metabolism of drugs, pesticides, pro-carcinogens, and other xenobiotic …
Testosterone complex and non-steroidal ligands of human aromatase
Cytochrome P450 aromatase (AROM) catalyzes the biosynthesis of estrogen from
androgen. Previously crystal structures of human AROM in complex with the substrate …
androgen. Previously crystal structures of human AROM in complex with the substrate …
Structures and functions of human placental aromatase and steroid sulfatase, two key enzymes in estrogen biosynthesis
D Ghosh - Steroids, 2023 - Elsevier
Cytochrome P450 aromatase (AROM) and steroid sulfatase (STS) are the two key enzymes
for the biosynthesis of estrogens in human, and maintenance of the critical balance between …
for the biosynthesis of estrogens in human, and maintenance of the critical balance between …
Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer
Estrogens play a key role in cellular proliferation of estrogen-receptor-positive (ER+) breast
cancers (BCs). Suppression of estrogen production by competitive inhibitors of the enzyme …
cancers (BCs). Suppression of estrogen production by competitive inhibitors of the enzyme …