8 Results for "

Dynamic simulation

" in MedChemExpress (MCE) Product Catalog:
Products (8)

8 Results for "Dynamic simulation" in MCE Product Catalog:

1
1 Cited Publications
Referencia número: HY-N6841
No. CAS: 86831-53-0
Rhodiolin, a flavonoid, is an orally active glucose 6-phosphate isomerase (GPI) inhibitor. Rhodiolin inhibits papillary thyroid cancer (PTC) by targeting glycolysis enzyme glucose 6-phosphate isomerase GPI and suppressing PI3K/AKT/mTOR phosphorylation and induce apoptosis. Rhodiolin as a NS2B-NS3 protease inhibitor can disrupt dengue viral replication. Rhodiolin is also a potential candidate for developing anticancer strategies inhibiting CK1ε kinase. Rhodiolin can be used for the study of anti-tumor and anti-viral .
loading...
    loading...
Referencia número: HY-178954
No. CAS: 2456309-77-4
Áreas de investigación:  

Cancer

IDO1-IN-32 (Compound 45) is a potent and orally effective IDO1 inhibitor with an IC50 of 10 pM. IDO1-IN-32 exhibits significant anti-proliferative activity against Hela cells. IDO1-IN-32 can significantly inhibit tumor growth in CT26 and LCC transplanted mouse models by activating anti-tumor immunity. IDO1-IN-32 can be used for research on colon cancer and breast cancer .
loading...
    loading...
Referencia número: HY-178941
DHODH-IN-32 (Compound A1) is a DHODH inhibitor. DHODH-IN-32 shows significant cytotoxicity against NCI-60 cell lines, especially being sensitive to breast cancer, prostate cancer and leukemia cell lines. DHODH-IN-32 can induce cell apoptosis by activating the Caspase pathway. DHODH-IN-32 causes G0/G1 phase cell cycle arrest and inhibits cellular metabolism by ROS. DHODH-IN-32 exhibits significant anti-tumor properties in mouse breast cancer models. DHODH-IN-32 can be used for the study of breast cancer .
loading...
    loading...
Referencia número: HY-168189
Target:  

HIV

Áreas de investigación:  

Infection

HIV-1 inhibitor-76 (compound 9t-2) is a non-nucleoside reverse transcriptase inhibitor of HIV-1. HIV-1 inhibitor-76 can be used in anti-HIV research .
loading...
    loading...
Referencia número: HY-124987
No. CAS: 2225834-49-9
Target:  

Endogenous Metabolite

Áreas de investigación:  

Inflammation/Immunology

MRS4458 is a P2Y14 receptor antagonist with anti-inflammatory activity. MRS4458 mediates inflammatory activity by activating the motility of neutrophils. The design of MRS4458 is based on the interaction with the P2Y14 receptor and optimized by molecular dynamic simulation. MRS4458 performs well in terms of shape and complementarity with the receptor. The prediction that the 5-phenyl group of MRS4458 is substituted with thiophene is generally consistent with empirical results. The biological activity of MRS4458 was verified by fluorescence assay, showing its potent antagonistic effect .
loading...
    loading...
Referencia número: HY-161463
No. CAS: 3025006-64-5
Target:  

CDK

Áreas de investigación:  

Cancer

CDK2-IN-28 (compound 22) is a CDK2 inhibitor with good selectivity and cellular effects against other CDKs. CDK2-IN-28 has anti-proliferative effects on MKN1 cells (EC50: 0.31 μM) .
loading...
    loading...
Referencia número: HY-157090
Áreas de investigación:  

Neurological Disease

AChE/MAO-B-IN-6 (compound 3a) is a dual inhibitor of AChE and h-MAO-B with potential to inhibit Alzheimer's disease .
loading...
    loading...
Referencia número: HY-150286A
No. CAS: 2715974-36-8
Target:  

Prion Protein

Áreas de investigación:  

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 .
loading...
    loading...