ArticleComputational and structural biotechnology journal2020
Structure-based discovery of neoandrographolide as a novel inhibitor of Rab5 to suppress cancer growth.
Article in Computational and structural biotechnology journal, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed, 34 citations in OpenAlex.
- Rab5 nucleotide binding promotes oxidative metabolism to fuel hepatocellular carcinoma cell proliferation.The Journal of biological chemistry · 2026Article
- Endosome traffic in rheumatic diseases: mechanistic insights and therapeutic opportunities.Nature reviews. Rheumatology · 2026Review
- Drug Repurposing for Kala-Azar.Pharmaceutics · 2025Article
- Versatile Butenolide Syntheses via a Structure-Oriented C-H Activation Reaction.Journal of the American Chemical Society · 2025Article
- Andrographolide prevents necroptosis by suppressing the generation of reactive oxygen species.Acta biochimica et biophysica Sinica · 2025Article
- Neoandrographolide inhibits mature osteoclast differentiation to alleviate bone loss and treat osteoporosis.Frontiers in pharmacology · 2025Article
- Identification of potential MMP-8 inhibitors through virtual screening of natural product databases.In silico pharmacology · 2025Article
- Loss of HD-PTP function results in lipodystrophy, defective cellular signaling and altered lipid homeostasis.Journal of cell science · 2024Article
- Review
- Article
- A genome-wide CRISPR/Cas9 screen identifies a role for Rab5A and early endosomes in hepatitis E virus replication.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Polyphyllin D punctures hypertrophic lysosomes to reverse drug resistance of hepatocellular carcinoma by targeting acid sphingomyelinase.Molecular therapy : the journal of the American Society of Gene Therapy · 2023Article
- Evaluations of Andrographolide-Rich Fractions ofPlants (Basel, Switzerland) · 2023Article
- Structure-Based Discovery and Biological Assays of a Novel PRMT5 Inhibitor for Non-Small Cell Lung Cancer.Molecules (Basel, Switzerland) · 2022Article
- Article
- Crizotinib Shows Antibacterial Activity against Gram-Positive Bacteria by Reducing ATP Production and Targeting the CTP Synthase PyrG.Microbiology spectrum · 2022Article
- Identification of novel natural inhibitors targeting AKT Serine/Threonine Kinase 1 (AKT1) by computational study.Bioengineered · 2022Article
- C20orf24 promotes colorectal cancer progression by recruiting Rin1 to activate Rab5-mediated mitogen-activated protein kinase/extracellular signal-regulated kinase signalling.Clinical and translational medicine · 2022Article
- Discovery of Novel HPK1 Inhibitors Through Structure-Based Virtual Screening.Frontiers in pharmacology · 2022Article
- Antiviral Activities of Andrographolide and Its Derivatives: Mechanism of Action and Delivery System.Pharmaceuticals (Basel, Switzerland) · 2021Review
Corrections and comments
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Authors and funding
8 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Rab5 is a small GTPase that plays a crucial role in oncogenic signal transduction, which was considered as an attractive target for cancer therapy. Rapid GDP/GTP exchange in the packet of Rab5 sustains its high activity for promoting cancer progression. However, Rab5 currently remains undruggable due to the lack of specific inhibitor. Herein, we reported the discovery of a novel Rab5 inhibitor, neoandrographolide (NAP), by using high-throughput virtual screening with a natural product library containing 7459 compounds, which can occupy the surface groove of Rab5, competing with GDP/GTP for the binding. Ser34 is the most important residue in the groove of Rab5, as it forms most hydrogen-bond interactions with GDP/GTP or NAP, and
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.