Scientific Reviews
Product Guides
Blogs
Topics
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
16 Results for "
MD simulation
" in MedChemExpress (MCE) Product Catalog:
Products (16)
16 Results for "MD simulation" in MCE Product Catalog:
Cat. No.: HY-W087919
CAS No.: 3857-25-8
Category:
Natural Products other families Other Diseases Dianthus rupicola Biv. Plants Disease Research Fields
Target:
Cat. No.: HY-179039
EGFR-IN-183 (Compound 5q) is an EGFR inhibitor. EGFR-IN-183 strongly binds to EGFR (T790M/L858R) mutants. EGFR-IN-183 exhibits anti-proliferative activity against MDA-MB-231, with an IC50 value of 16.4 μM. EGFR-IN-183 can be used for research on triple-negative breast cancer .
CMP98 is a homologous PROTAC that serves as a negative control compound for CM11, a pVHL30 PROTAC degrader. CMP98 does not induce VHL protein degradation, bind to the VCB complex, or form a ternary VCB complex .
Cat. No.: HY-155242
Target:
Research Areas:
VEGFR-2-IN-36 (compound 15) is a VEGFR-2 inhibitor (IC50: 0.067 μM) and inducer of apoptosis with anticancer activity. VEGFR-2-IN-36 upregulates BAX levels and downregulates Bcl-2 levels. VEGFR-2-IN-36 is toxic to cancer cells, MCF-7 (IC50=0.42 μM) and HepG2 (IC50=0.22 μM) .
Cat. No.: HY-169256
CAS No.: 767310-01-0
ZINC4497834 is an inhibitor of SARS-CoV-2 major protease Mpro. ZINC4497834 can be used in anti-COVID19 research .
Cat. No.: HY-161067
EGFR-IN-96 (compound 7a) is a thieno[2,3-d]pyrimidine EGFR inhibitor that can induce apoptosis. EGFR-IN-96 arrests the growth of HepG2 cells in the S phase and G2/M phase, and inhibits the growth of cancer cells bearing EGFR wild-type and EGFR T790M .
Cat. No.: HY-155239
CAS No.: 2634356-52-6
VEGFR-2-IN-35 (compound 7) is a potent VEGFR-2 inhibitor with IC50=37 nM. VEGFR-2-IN-35 inhibits MCF-7 and HCT 116 cancer cells with IC50 values of 10.56 and 7.07 μM, respectively .
Cat. No.: HY-183661
CAS No.: 910644-11-0
SCHEMBL12616233 is a SARS-CoV-2 main protease (MPro) inhibitor. SCHEMBL12616233 binds to the active cavity of SARS-CoV-2 MPro and forms a stable complex. SCHEMBL12616233 can be used for the research of covid-19 .
Cat. No.: HY-181705
Target:
Research Areas:
PROTAC RTA Degrader-1 (Compound 3A) is a ricin toxin A chain (RTA) PROTAC degrader. PROTAC RTA Degrader-1 forms stable ternary complexes, maintains sustained hydrogen bonding interactions, and exhibits distinct interaction energy. PROTAC RTA Degrader-1 is applicable to research related to ricin toxin poisoning .
Cat. No.: HY-181744
Target:
Research Areas:
AChE-IN-108 is a potent mixed-type acetylcholinesterase (AChE) inhibitor with an in vitro IC50 of 0.17 nM. AChE-IN-108 acts on both free AChE and the enzyme-substrate complex to exert mixed-type inhibition. AChE-IN-108 can be used for the study of acetylcholinesterase inhibition in Alzheimer’s disease (AD) .
Cat. No.: HY-W012597
CAS No.: 1070-34-4
Target:
Cat. No.: HY-182782
CAS No.: 1179703-17-3
Target:
Research Areas:
Analgesic agent-4 is an adenosine A3AR ligand with analgesic/antinociceptive activity. Analgesic agent-4 inhibits writhing responses in mice and exhibits dose-dependent activity in the acetic acid (HY-Y0319)-induced mouse writhing model. Analgesic agent-4 can be used in the research of pain-related diseases .
Cat. No.: HY-164686A
MMV019662 TFA is a PfNCR1 inhibitor and antimalarial agent. MMV019662 TFA reduces gametocytemia levels of Plasmodium falciparum. MMV019662 TFA is applicable to malaria-related research .
Target:
Research Areas:
- 1
-
-
Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
