A large number of deaths have been caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)worldwide,turning it into a serious and momentous threat to public health.This study tends to contribute to t...A large number of deaths have been caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)worldwide,turning it into a serious and momentous threat to public health.This study tends to contribute to the development of effective treatment strategies through a computational approach,investigating the mechanisms in relation to the binding and subsequent inhibition of SARS-CoV-2 ribonucleic acid(RNA)-dependent RNA polymerase(RdRp).Molecular docking was performed to screen six naturally occurring molecules with antineoplastic properties(Ellipticine,Ecteinascidin,Homoharringtonine,Dolastatin 10,Halichondrin,and Plicamycin).Absorption,distribution,metabolism,and excretion(ADME)investigation was also conducted to analyze the druglike properties of these compounds.The docked results have clearly shown binding of ligands to the SARS-CoV-2 RdRp protein.Interestingly,all ligands were found to obey Lipinski’s rule of five.These results provide a basis for repurposing and using molecules,derived from plants and animals,as a potential treatment for the coronavirus disease 2019(COVID-19)infection as they could be effective therapeutics for the same.展开更多
The ability to correctly quantify activity concentration with single photon emission computed tomography （SPECT） is limited by its spatial resolution. Blurring of data between adjacent structures, which is known as ...The ability to correctly quantify activity concentration with single photon emission computed tomography （SPECT） is limited by its spatial resolution. Blurring of data between adjacent structures, which is known as partial volume effects, can be compensated for by utilizing high resolution structural information from other imaging modalities such as CT or MRI. Previously developed partial volume correction （PVC） methods normally assume a spatially invariant point spread function. In SPECT this is not a good approximation, since the resolution varies with the distance from the collimator. A new method, p-PVC, was developed in this paper, which takes into account the distance dependent blurring. The method operates in projection space and is combined with filtered back-projection （FBP） reconstruction. Results from simulations show that similar quantitative results could be obtained with p-PVC＋FBP as with OSEM with resolution recovery, although with better structural definition and an order of magnitude faster.展开更多
文摘A large number of deaths have been caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)worldwide,turning it into a serious and momentous threat to public health.This study tends to contribute to the development of effective treatment strategies through a computational approach,investigating the mechanisms in relation to the binding and subsequent inhibition of SARS-CoV-2 ribonucleic acid(RNA)-dependent RNA polymerase(RdRp).Molecular docking was performed to screen six naturally occurring molecules with antineoplastic properties(Ellipticine,Ecteinascidin,Homoharringtonine,Dolastatin 10,Halichondrin,and Plicamycin).Absorption,distribution,metabolism,and excretion(ADME)investigation was also conducted to analyze the druglike properties of these compounds.The docked results have clearly shown binding of ligands to the SARS-CoV-2 RdRp protein.Interestingly,all ligands were found to obey Lipinski’s rule of five.These results provide a basis for repurposing and using molecules,derived from plants and animals,as a potential treatment for the coronavirus disease 2019(COVID-19)infection as they could be effective therapeutics for the same.
文摘The ability to correctly quantify activity concentration with single photon emission computed tomography （SPECT） is limited by its spatial resolution. Blurring of data between adjacent structures, which is known as partial volume effects, can be compensated for by utilizing high resolution structural information from other imaging modalities such as CT or MRI. Previously developed partial volume correction （PVC） methods normally assume a spatially invariant point spread function. In SPECT this is not a good approximation, since the resolution varies with the distance from the collimator. A new method, p-PVC, was developed in this paper, which takes into account the distance dependent blurring. The method operates in projection space and is combined with filtered back-projection （FBP） reconstruction. Results from simulations show that similar quantitative results could be obtained with p-PVC＋FBP as with OSEM with resolution recovery, although with better structural definition and an order of magnitude faster.
