3 Results for "

Docking-simulation

" in MedChemExpress (MCE) Product Catalog:
Products (3)

3 Results for "Docking-simulation" in MCE Product Catalog:

Cat. No.: HY-155138
Target:  

Glutaminase

Research Areas:  

Metabolic Disease Cancer

GLS1 Inhibitor-7 (compound 4d) is a GLS1 inhibitor (IC50=46.7 μM), with potential anti-cancer, anti-aging and anti-obesity properties .
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Cat. No.: HY-118260
CAS No.: 130905-04-3
Target:  

Adrenergic Receptor

Research Areas:  

Endocrinology

Phendioxan is a compound with binding activity at the α(1)-adrenaline receptor subtype. The facilitated membrane diffusion of phendioxan is thought to be associated with improved α(1d)-AR affinity. Docking simulations of phendioxan at biological targets supported the stoichiometric analysis and revealed the importance of polar, electrostatic, hydrophobic, and shape effects of its phenoxy terminal orthogonal substituents on ligand binding .
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Cat. No.: HY-181176
DEMAMP is an antioxidant. DEMAMP exhibits scavenging effects on DPPH and H2O2 free radicals, with IC50 values of 0.60 and 0.48 mg/mL, respectively. Molecular docking simulations show that DEMAMP potently inhibits NADPH oxidase and the Mpro and RdRp proteins of SARS-CoV-2, and ADMET analysis confirms that it has favorable oral bioavailability. DEMAMP can be used in studies related to COVID-19 .
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