Anton Cheltsov
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View article: Q-MOL: High Fidelity Platform for <i>In Silico</i> Drug Discovery and Design
Q-MOL: High Fidelity Platform for <i>In Silico</i> Drug Discovery and Design Open
For several decades in silico drug discovery methods have held the promise of cheap and efficient ways of streamlining de novo discovery of small molecule ligands against novel drug targets. The existing computational methodologies proved …
View article: Dual function of Zika virus NS2B-NS3 protease
Dual function of Zika virus NS2B-NS3 protease Open
Zika virus (ZIKV) serine protease, indispensable for viral polyprotein processing and replication, is composed of the membrane-anchored NS2B polypeptide and the N-terminal domain of the NS3 polypeptide (NS3pro). The C-terminal domain of th…
View article: Data from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth
Data from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth Open
Membrane type-1 matrix metalloproteinase (MT1-MMP) is a promising drug target in malignancy. The structure of MT1-MMP includes the hemopexin domain (PEX) that is distinct from and additional to the catalytic domain. Current MMP inhibitors …
View article: Data from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth
Data from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth Open
Membrane type-1 matrix metalloproteinase (MT1-MMP) is a promising drug target in malignancy. The structure of MT1-MMP includes the hemopexin domain (PEX) that is distinct from and additional to the catalytic domain. Current MMP inhibitors …
View article: Supplementary Table 1 from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth
Supplementary Table 1 from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth Open
PDF file - 69K
View article: Supplementary Table 1 from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth
Supplementary Table 1 from Novel MT1-MMP Small-Molecule Inhibitors Based on Insights into Hemopexin Domain Function in Tumor Growth Open
PDF file - 69K
View article: Targeting mitochondria in cancer therapy could provide a basis for the selective anti-cancer activity
Targeting mitochondria in cancer therapy could provide a basis for the selective anti-cancer activity Open
To determine the target of the recently identified lead compound NSC130362 that is responsible for its selective anti-cancer efficacy and safety in normal cells, structure-activity relationship (SAR) studies were conducted. First, NSC13062…
View article: Targeting mitochondria in cancer therapy could provide a basis for the selective anti-cancer activity
Targeting mitochondria in cancer therapy could provide a basis for the selective anti-cancer activity Open
To determine the target of the recently identified lead compound NSC130362 that is responsible for its selective anti-cancer efficacy and safety in normal cells, structure-activity relationship (SAR) studies were conducted. First, NSC13062…
View article: Multi-Omics Studies towards Novel Modulators of Influenza A Virus–Host Interaction
Multi-Omics Studies towards Novel Modulators of Influenza A Virus–Host Interaction Open
Human influenza A viruses (IAVs) cause global pandemics and epidemics. These viruses evolve rapidly, making current treatment options ineffective. To identify novel modulators of IAV–host interactions, we re-analyzed our recent transcripto…
View article: NSC-640358 acts as RXRα ligand to promote TNFα-mediated apoptosis of cancer cell
NSC-640358 acts as RXRα ligand to promote TNFα-mediated apoptosis of cancer cell Open
Retinoid X receptor α (RXRα) and its N-terminally truncated version tRXRα play important roles in tumorigenesis, while some RXRα ligands possess potent anti-cancer activities by targeting and modulating the tumorigenic effects of RXRα…
View article: TRAIL-Based High Throughput Screening Reveals a Link between TRAIL-Mediated Apoptosis and Glutathione Reductase, a Key Component of Oxidative Stress Response
TRAIL-Based High Throughput Screening Reveals a Link between TRAIL-Mediated Apoptosis and Glutathione Reductase, a Key Component of Oxidative Stress Response Open
A high throughput screen for compounds that induce TRAIL-mediated apoptosis identified ML100 as an active chemical probe, which potentiated TRAIL activity in prostate carcinoma PPC-1 and melanoma MDA-MB-435 cells. Follow-up in silico model…