ArticleJournal of inorganic biochemistry2007
Studies on the interactions of Ti-containing polyoxometalates (POMs) with SARS-CoV 3CLpro by molecular modeling.
Article in Journal of inorganic biochemistry, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Experimental and theoretical study of novel amino-functionalized P(V) coordination compounds suggested as inhibitor of MApplied organometallic chemistry · 2022Article
- Computational Modelling of the Interactions Between Polyoxometalates and Biological Systems.Frontiers in chemistry · 2022Review
- Can polyoxometalates (POMs) prevent of coronavirus 2019-nCoV cell entry? Interaction of POMs with TMPRSS2 and spike receptor domain complexed with ACE2 (ACE2-RBD): Virtual screening approaches.Informatics in medicine unlocked · 2022Article
- An Androsterone-HChemPlusChem · 2021Article
- Human coronaviruses and therapeutic drug discovery.Infectious diseases of poverty · 2021Review
- Preparation of polyoxometalate-doped aminosilane-modified silicate hybrid as a new barrier of chem-bio toxicant.Journal of inorganic biochemistry · 2019Article
- Article
- Molecular simulation study of the binding mechanism of [α-PTiChinese science bulletin = Kexue tongbao · 2010Article
- Preparation and characterization of polyoxometalate-modified poly(vinyl alcohol)/polyethyleneimine hybrids as a chemical and biological self-detoxifying material.Polymer degradation and stability · 2009Article
- Preparation and antibacterial efficacy of bamboo charcoal/polyoxometalate biological protective material.Microporous and mesoporous materials : the official journal of the International Zeolite Association · 2009Article
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5 authors.
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Abstract
Ti-containing alpha-Keggin polyoxometalates (POMs) have been proved with properties of both anti-tumor and anti-HIV (human immunodeficiency virus). The potential anti-SARS (severe acute respiratory syndrome) activity of the POMs [alpha-PTi(2)W(10)O(40)](7-) isomers was investigated in this paper by molecular modeling method. The SARS 3c like protease, namely the SARS 3CL(pro) is the key function protease for virus replication as well as transcription and thus can be taken as one of the key targets for anti-SARS drug design. Affinity/Insight II was used to explore possible binding locations for POMs/3CL(pro) interaction. Charges in the POMs were obtained from density-functional theory (DFT) method. The results show that POMs bind with 3CL(pro) in the active site region with high affinity; POMs are more prone to bind with 3CL(pro) than with some organic compounds; for the POMs/3CL(pro)complex, the OTi(2) in POMs is the vital element for electrostatic interaction, and the electrostatic binding energy is strong enough to keep the complex stable.
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