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Results for "

Protein simulation

" in MedChemExpress (MCE) Product Catalog:

6

Inhibitors & Agonists

1

Peptides

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-P10424
    OPBP-1

    		PD-1/PD-L1 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 .
    OPBP-1
  • HY-150286A
    (R)-SM875

    		Prion Protein 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 .
    (R)-SM875
  • HY-119632
    Anisopirol

    R-2159

    		 Cholinesterase (ChE) 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.
    Anisopirol
  • HY-181176
    DEMAMP

    		NADPH Oxidase SARS-CoV Virus Protease Infection Inflammation/Immunology
    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 .
    DEMAMP
  • HY-179527
    LIG48

    		ROS Kinase 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 .
    LIG48
  • HY-183293
    Cbl-b-IN-32

    		E1/E2/E3 Enzyme 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 .
    Cbl-b-IN-32

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