7 Results for "

Protein simulation

" in MedChemExpress (MCE) Product Catalog:
Products (7)

7 Results for "Protein simulation" in MCE Product Catalog:

Cat. No.: HY-P10424
CAS No.: 2378606-21-2
Target:  

PD-1/PD-L1

Research Areas:  

Cancer

OPBP-1 is a D-peptide obtained by phage display screening, molecular docking and molecular dynamics simulation. OPBP-1 has high stability and strong antitumor and oral activity. OPBP-1 can selectively bind PD-L1 protein, significantly block the interaction between PD-1 and PD-L1, and this blocking effect helps to restore and improve the function of T lymphocytes and reduce the proportion of bone marrow derived suppressor cells (MDSCs) to combat tumor-induced immune escape. OPBP-1 can be used in cancer immunotherapy research .
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Cat. No.: HY-150286A
CAS No.: 2715974-36-8
Target:  

Prion Protein

Research Areas:  

Infection

(R)-SM875 is a degrader targeting the intermediate folding form of prion protein (PrP). (R)-SM875 significantly reduces the PrP level, with an IC50 of 3 μM. (R)-SM875 can be used for the study of prion diseases .
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Cat. No.: HY-119632
CAS No.: 857-62-5
Synonyms: R-2159
Target:  

Cholinesterase (ChE)

Research Areas:  

Others

Anisopirol (R-2159) is a compound associated with Alzheimer's disease. Computer simulation studies have found that it may have potential effects on multiple protein targets related to Alzheimer's disease.
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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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Cat. No.: HY-179527
Target:  

ROS Kinase

Research Areas:  

Cancer

LIG48 is ROS1 kinase domain and its mutant (G2032R ROS1 kinase domain) inhibitor. LIG48 remains within the mutated and wild-type ROS1 kinase domains. LIG48 can be used for the study of non-small cell lung cancer .
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Cat. No.: HY-183293
Target:  

E1/E2/E3 Enzyme

Research Areas:  

Others

Cbl-b-IN-32 is a Cbl-b inhibitor with an IC50 of 6.83 μM. Cbl-b-IN-32 binds to the TKB-LH interface, stabilizes the inactive conformation of Cbl-b, engages Tyr363 via hydrogen bonds and water bridges, and forms hydrogen bonds with Phe261 and Phe263 .
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Cat. No.: HY-184849
CAS No.: 7219-59-2
Research Areas:  

Others

Glu-Arg is a dipeptide linked by L-glutamic acid and L-arginine. Glu-Arg contributes to the construction of the hydrophobic network and maintenance of stability of mouse cAMP-dependent protein kinase; it acts as a core hub connecting the activation segment and the GHI subdomain in eukaryotic protein kinases, and promotes signal transmission between elements and within enzymes. As a salt bridge, Glu-Arg regulates the formation and unfolding rates of α-helices, and its optimized spatial conformation is conducive to the stability and folding rate of α-helices. Glu-Arg induces concentration-dependent intracellular calcium changes in cultured human fungiform taste bud cells .
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