The potential of leaf extract of Pangium edule Reinw as HIV-1 protease inhibitor: A computational biology approach

Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations

“…Lipinski's rule of five (Ro5) is a set of rules used to assess the drug-likeness of a chemical compound that has a pharmacological activity that could lead to it being an orally active drug for human use ( Lipinski et al, 2001 , Kalita et al, 2020 ). The Ro5 specifies that the molecular weight must be less than 500 Da, the number of H-bond donors must be less than 5, the number of H-bond acceptor must be less than 10, the xlogP must be less than 5, and the molar refractivity must be between 40 and 130 ( Fatimawali et al, 2021 , Kashyap et al, 2016 , Sefren Geiner et al, 2020 ). Regarding this statement, Table 3 indicates that only compound X77 appears to meet the Ro5 criteria.…”

Alteration of volatile compounds profile of brewers’ spent grain by bath-ultrasonication and its combination with conventional water-bath and autoclave treatment

“…Other alcohol compounds observed in untreated BSG were most likely to be unstable and removed due to the treatments such as nona-3,5-dien-2-ol, 2-butyl-2,7-octadien-1-ol, 1-tetradecanol, 4,4,6-trimethyl- cyclohex-2-en-1-ol and 2-nitrohept-2-en-1-ol. All those compounds were identified in medicinal plants and or essential oil [45] , [46] , [47] , [48] , [49] , [50] .…”

A Comprehensive Overview of the Newly Emerged COVID-19 Pandemic: Features, Origin, Genomics, Epidemiology, Treatment, and Prevention

“…The robust stability of SARS coronavirus at low temperature and in a low humidity environment may allow for its rapid community transmission in subtropical areas (such as Hong Kong) during the spring season. These findings may also explain the reason why some Asian nations in equatorial areas (for example, Malaysia, Indonesia, or Thailand) with high temperatures and relatively humid environments did not have strong community outbreaks of the SARS virus compared to European regions [196].…”