ArticleACS omega2021
(-)-Kusunokinin as a Potential Aldose Reductase Inhibitor: Equivalency Observed via AKR1B1 Dynamics Simulation.
Article in ACS omega, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
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- NARI-29: A Novel Epalrestat Derivative Attenuates Pulmonary Fibrosis by Modulating the TGF-β/Smad Signaling.ACS pharmacology & translational science · 2025Article
- Molecular dynamics study on the effect of the N1 neuraminidase double mutant G147R/H274Y on oseltamivir sensitivity.RSC advances · 2024Article
- Insight from atomistic molecular dynamics simulations into the supramolecular assembly of the aldo-keto reductase from Trypanosoma cruzi.Journal of molecular modeling · 2024Article
- GC-MS fingerprinting, nutritional composition, in vitro pharmacological activities and molecular docking studies of3 Biotech · 2024Article
- Role of CSF1R 550th-tryptophan in kusunokinin and CSF1R inhibitor binding and ligand-induced structural effect.Scientific reports · 2024Article
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- Novel Lawsone-Quinoxaline Hybrids as New Dual Binding Site Acetylcholinesterase Inhibitors.ACS omega · 2023Article
- Computational model for lipid binding regions in phospholipase (Ves a 1) from Vespa venom.Scientific reports · 2023Article
- Anticancer Activity of (±)-Kusunokinin Derivatives towards Cholangiocarcinoma Cells.Molecules (Basel, Switzerland) · 2022Article
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- Phyto-Computational Intervention of Diabetes Mellitus at Multiple Stages Using Isoeugenol fromMolecules (Basel, Switzerland) · 2022Article
- Potential Stereoselective Binding ofMolecules (Basel, Switzerland) · 2022Article
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- Inhibitory Effect of Polyphenols from the Whole Green Jackfruit Flour against α-Glucosidase, α-Amylase, Aldose Reductase and Glycation at Multiple Stages and Their Interaction: Inhibition Kinetics and Molecular Simulations.Molecules (Basel, Switzerland) · 2022Article
- Effects of trans-(±)-kusunokinin on chemosensitive and chemoresistant ovarian cancer cells.Oncology letters · 2022Article
- Synthesis, Biological Evaluation, and In Silico Studies of New Acetylcholinesterase Inhibitors Based on Quinoxaline Scaffold.Molecules (Basel, Switzerland) · 2021Article
- Trans-(-)-Kusunokinin: A Potential Anticancer Lignan Compound against HER2 in Breast Cancer Cell Lines?Molecules (Basel, Switzerland) · 2021Article
- Potency of bisresorcinol fromPeerJ · 2021Article
- Aldo Keto Reductases AKR1B1 and AKR1B10 in Cancer: Molecular Mechanisms and Signaling Networks.Advances in experimental medicine and biology · 2021Review
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
(-)-Kusunokinin performed its anticancer potency through CFS1R and AKT pathways. Its ambiguous binding target has, however, hindered the next development phase. Our study thus applied molecular docking and molecular dynamics simulation to predict the protein target from the pathways. Among various candidates, aldo-keto reductase family 1 member B1 (AKR1B1) was finally identified as a (-)-kusunokinin receptor. The predicted binding affinity of (-)-kusunokinin was better than the selected aldose reductase inhibitors (ARIs) and substrates. The compound also had no significant effect on AKR1B1 conformation. An intriguing AKR1B1 efficacy, with respect to the known inhibitors (epalrestat, zenarestat, and minalrestat) and substrates (UVI2008 and prostaglandin H
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Registered trials
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