ArticleDrug design, development and therapy2009
Antidiabetic Bis-Maltolato-OxoVanadium(IV): conversion of inactive trans- to bioactive cis-BMOV for possible binding to target PTP-1B.
Article in Drug design, development and therapy, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Exploring the Biological Effects of Anti-Diabetic Vanadium Compounds in the Liver, Heart and Brain.Diabetes, metabolic syndrome and obesity : targets and therapy · 2024Review
- Vanadium as potential therapeutic agent for COVID-19: A focus on its antiviral, antiinflamatory, and antihyperglycemic effects.Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements (GMS) · 2022Review
- Synthesis, Characterization, and In Vitro Insulin-Mimetic Activity Evaluation of Valine Schiff Base Coordination Compounds of Oxidovanadium(V).Biomedicines · 2021Article
- Are vanadium complexes druggable against the main protease MInorganica chimica acta · 2021Article
- The liposomal delivery of hydrophobic oxidovanadium complexes imparts highly effective cytotoxicity and differentiating capacity in neuroblastoma tumour cells.Scientific reports · 2020Article
- Sodium Orthovanadate Changes Fatty Acid Composition and Increased Expression of Stearoyl-Coenzyme A Desaturase in THP-1 Macrophages.Biological trace element research · 2020Article
- Why Antidiabetic Vanadium Complexes are Not in the Pipeline of "Big Pharma" Drug Research? A Critical Review.Current medicinal chemistry · 2016Review
- Vanadium methyl-bipyridine organoligand and its influence on energy balance and organs mass.Biological trace element research · 2014Article
- Inhibition of protein tyrosine phosphatases enhances cerebral collateral growth in rats.Journal of molecular medicine (Berlin, Germany) · 2014Article
- Vanadyl sulfate treatment stimulates proliferation and regeneration of beta cells in pancreatic islets.Journal of diabetes research · 2014Article
- Metallic ions as therapeutic agents in tissue engineering scaffolds: an overview of their biological applications and strategies for new developments.Journal of the Royal Society, Interface · 2012Review
- Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B.Drug design, development and therapy · 2010Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The postulated transition of Bis-Maltolato-OxoVanadium(IV) (BMOV) from its inactive trans- into its cis-aquo-BMOV isomeric form in solution was simulated by means of computational molecular modeling. The rotational barrier was calculated with DFT - B3LYP under a stepwise optimization protocol with STO-3G, 3-21G, 3-21G*, and 6-31G ab initio basis sets. Our computed results are consistent with reports on the putative molecular mechanism of BMOV triggering the insulin-like cellular response (insulin mimetic) as a potent inhibitor of the protein tyrosine phosphatase-1B (PTP-1B). Initially, trans-BMOV is present in its solid dosage form but in aqueous solution, and during oral administration, it is readily converted into a mixture of "open-type" and "closed-type" complexes of cis-aquo-BMOV under equilibrium conditions. However, in the same measure as the "closed-type" complex binds to the cytosolic PTP-1B, it disappears from solution, and the equilibrium shifts towards the "closed-type" species. In full accordance, the computed binding mode of cis-BMOV is energetically favored over sterically hindered trans-BMOV. In view of our earlier report on prodrug hypothesis of vanadium organic compounds the present results suggest that cis-BMOV is the bioactive species.
Indexed as
Identifiers
19920909PMC2761195What OpenQuestion holds
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.