A5065929764- Computational Drug Discovery Methods
- Protease and Inhibitor Mechanisms
- PI3K/AKT/mTOR signaling in cancer
- Ubiquitin and proteasome pathways
- Cytokine Signaling Pathways and Interactions
- Advancements in Semiconductor Devices and Circuit Design
- Protein Kinase Regulation and GTPase Signaling
- Myeloproliferative Neoplasms: Diagnosis and Treatment
- TGF-β signaling in diseases
- Liver physiology and pathology
- Cell Adhesion Molecules Research
- Synthesis and biological activity
- Cancer Mechanisms and Therapy
- Cholinesterase and Neurodegenerative Diseases
- Monoclonal and Polyclonal Antibodies Research
- Protein Degradation and Inhibitors
- Peptidase Inhibition and Analysis
Mianyang Third People's Hospital
2025
Chongqing Medical and Pharmaceutical College
2022-2023
Chongqing Medical University
2022-2023
Linker structures are a crucial component of proteolysis-targeting chimeras (PROTACs) and have traditionally been designed based on empirical methods, which presents significant challenges in the development PROTACs. Current optimization strategies typically focus reducing number rotatable bonds linker to limit conformational freedom. However, this approach overlooks complexity target protein degradation process. Retrospective analyses suggest that merely adjusting is insufficient control...
JAK3 differs from other JAK family members in terms of tissue distribution and functional properties, making it a promising target for autoimmune disease treatment. However, due to the high homology these members, targeting selectively is difficult. As result, exploiting small changes or boosting affinity within ATP binding region produce new tailored inhibitors extremely beneficial. PubChem CID 137321159 was used as lead inhibitor this study preserve characteristic structure collocate with...
Vascular endothelial growth factor receptor 2 (VEGFR2) and c-Mesenchymal epithelial transition (c-Met) are tyrosine kinase receptors associated with the occurrence of malignant tumors. Studies have shown that inhibition VEGFR2 promotes a feedback increase in c-Met, mechanism linked to emergence resistance inhibitors. Therefore, treatment targeting both c-Met will better application prospects. In this study, hierarchical virtual screening was performed on ZINC15, Molport Mcule-ULTIMATE...
Among all types of TGFβ signal blockers, small molecule kinase inhibitors (SMKIs) have attracted wide attention due to their economical production, obvious stability, and ease oral administration. Nevertheless, SMKIs TGFβRItypically low druggability so there are none on the market. In this study, structure-based drug design (SBDD) was performed focusing pyrrolopyrimidin scaffold BMS22 find TGFβRIinhibitors with excellent medical potential. The binding mode, druggability, target affinity were...
Alzheimer’s disease (AD) is a neurological illness that develops over time. Although the disease’s origin and pathophysiology remain unclear, acetylcholinesterase (AChE) has been identified as potential target. Other targets including glycogen synthase kinase 3β (GSK-3β), β-secretase (BACE-1), others, are also being investigated possible therapeutic targets. In this work, compounds from DrugBank ZINC subset drug-like databases were screened in silico using ligand-based pharmacophore...