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

Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19

“…Only a few compounds, however, have been studied against TMPRSS2, including some organic molecules such as nafamostat, camostat, and gabexate, all of them possessing a guanidinium group that interacts with Asp435 and an ester group pointing into Ser441 of the triad catalytic site, in a similar way to the small molecules here reported ( Hu et al, 2021 ). In addition, polyoxotungstates have been examined, where [SiW 12 O 40 ] −4 has a binding free energy of −9.4 kcal mol −1 toward the TMPRSS2, but none of the amino acids of the catalytic triad are present in the interactions ( Shahabadi et al, 2022 ). Among coordination compounds, only two complexes based on Co(II) and Zn(II) have been studied, showing binding energies of −6.2 and −6.3 kcal mol −1 , respectively, but again without interactions with the catalytic triad ( Öztürkkan et al, 2022 ).…”

Selective Hydrolysis of Ovalbumin by Zr-Based Lacunary Polyoxotungstate in Surfactant Solutions

“…Polyoxometalates (POMs) are anionic clusters containing transition metals in the highest oxidation state and have a wide range of applications due to their unique physicochemical properties. − They can be divided into two families, iso- and hetero-POMs; the latter includes heteroatoms, such as B, Si, P, etc. − Also, POMs exhibit a large diversity of structures, including the archetypal structures Lindquist (iso-POM), Anderson-Evans, Keggin, Wells-Dawson, and many more. − The structure of POMs can be highly controlled by acid–base equilibria so that upon removal of one or more {MO x } ( x = 5 and 6) units, lacunary POMs (LPOMs) can be formed with highly reactive vacant sites. , These vacant sites can easily interact with organic ligands or metal species to form diverse structures like sandwich-type POMs in which two LPOMs are linked to metal ion(s). , It is important to note that sandwich-type POMs with 1:2 metal (like Zr or Ln ions) to POM (like lacunary Keggin, Wells-Dawson, or Lindqvist) ratios are particularly resistant to dissociation into monomers and preserve their structure over a broad range of pH values and temperatures. − Meanwhile, POM-based structures can also be used to improve effective cancer diagnosis and therapy due to their anionic and oxygen-rich nature. , In addition, POMs have been used for antibacterial and antitumor redox reactions and act as artificial proteases and promote selective hydrolysis of peptide bonds in proteins through electrostatic interactions. , …”

NMR-Relaxometric Investigation of Mn(II)-Doped Polyoxometalates in Aqueous Solutions

“…One of the dominant research directions in the chemistry of nanomaterials is the development of new nanoprobes for medical imaging [ 1 ]. In this respect, polyoxometalates (POM) constitute promising candidates for development of such nanoprobes due to the following advantages: (i) biological activity (e.g., anti-RNA [ 2 ], anti-influenza [ 3 ], anti-COVID-19 [ 4 ]), which makes possible teranostic applications [ 5 ]; (ii) tendency for self-organization into hierarchically ordered nanostructures [ 6 , 7 , 8 ]; and (iii) suitable magnetic-relaxation characteristics of POM-based complexes [ 9 , 10 ]. From a structural point of view, spherical or nearly spherical nano-sized polyoxometalates have an internal cavity and pores on the surface, allowing an exchange between the mass of the solution and the internal cavity of the clusters [ 11 ].…”