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Presently, the SARS-CoV-2 (COVID-19) pandemic has been spreading throughout the world. Some drugs such as lopinavir, simeprevir, hydroxychloroquine, chloroquine, and amprenavir have been recommended for COVID-19 treatment by some researchers, but these drugs were not effective enough against this virus. This study based on in silico approaches was aimed to increase the anti-COVID-19 activities of these drugs by using caulerpin and its derivatives as an adjunct drug against SARS-CoV-2 receptor proteins the SARS-CoV-2 main protease and the SARS-CoV-2 spike protein. Caulerpin exhibited antiviral activities against chikungunya virus and herpes simplex virus type 1. Caulerpin and some of its derivatives showed inhibitory activity against Alzheimer’s disease. The web server ANCHOR revealed higher protein stability for the two receptors with disordered score ( less then  0.6). Molecular docking analysis showed that the binding energies of most of the caulerpin derivatives were higher than all the suggested drugs forychloroquine, chloroquine, and amprenavir for disrupting the stability of SARS-CoV2 receptor proteins to increase the antiviral activity of these drugs.DFT/B3LYP calculations have been performed on series of molecules of natural products containing cinnamon and citrus, namely, cinnamic aldehyd, ascorbic acid and hesperidin. This theoretical investigation predicts the biological activities of mixtures between cinnamon and ascorbic acid and between cinnamon and hesperidin based on already proven values for these molecules. The strength of the intermolecular interactions is evaluated in term of energy decomposition of the total interaction energy ΔEint between molecules, which are mainly governed by electrostatic interactions. The HOMO-LUMO gaps explain that the possible charge transfer interactions that take place within the molecules are responsible for the molecular reactivity of the studied molecules. The chemical hardness, the chemical potential and the electrophilicity indexes are good indicators for biological activities showing their improvement to that of cinnamon itself. The mixture of hesperidin and cinnamon could be an excellent blood thinner with the regard to its polarity’s enhancement.The [3 + 2] cycloaddition (32CA) reactions of 1-pyrroline-1-oxide with N-vinyl nucleobases leading to bicyclic N,O nucleoside analogues have been studied within the molecular electron density theory (MEDT) at the MPWB1K/6-311G(d,p) computational level. These non-polar zwitterionic type 32CA reactions take place through a one-step mechanism with minimal global electron density transfer (GEDT) at the TSs and the exo/ortho approach mode as the energetically favoured reaction path. The 32CA reactions of N-vinyl nucleobases with thymine and cytosine substituents respectively show the activation enthalpies of 15.2 and 12.5 kcal mol-1 in toluene. The reactions are irreversible due to strong exothermic character of - 35.4– 26.4 kcal mol-1 in toluene. selleck chemical The bonding evolution theory (BET) study suggests that these 32CA reactions take place through the coupling of pseudoradical centres with earlier C-C bond formation and the formation of new C-C and C-O covalent bonds has not been started in the TSs. Non-covalent interactions (NCI) are predicted at the TSs from the visualization of NCI gradient isosurfaces.Coronaviruses are enveloped positive-strand RNA viruses belonging to family Coronaviridae and order Nidovirales which cause infections in birds and mammals. Among the human coronaviruses, highly pathogenic ones are Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) and the Middle East Respiratory Syndrome coronavirus (MERS-CoV) which have been implicated in severe respiratory syndrome in humans. There are no approved antiviral drugs or vaccines for the treatment of human CoV infection to date. The recent outbreak of new coronavirus pandemic, coronavirus disease 2019 (COVID-19) has caused a high mortality rate and infections around the world which necessitates the need for the discovery of novel anti-coronaviral drugs. Among the coronaviruses proteins, 3C-like protease (3CLpro) is an important drug target against coronaviral infection as the auto-cleavage process catalysed by the enzyme is crucial for viral maturation and replication. The present work is aimed at the identification of suitable lead molec exhibited dual inhibition potential. Hence, the proposed lead molecules from our findings can be further investigated through in vitro and in vivo studies to develop into potential drug candidates against human coronaviral infections.The preparation of Co-doped magnetite ferrofluids from natural sand was developed using a double-layer technique. The Co-doped magnetite nanoparticles formed a spinel phase with lattice parameters in the range of 8.355-8.422 Å and tended to agglomerate with the particle sizes of 7-12 nm. The presence of the first and second layers from oleic acid and DMSO was detected by the infrared spectrum as well as the olive oil used as a carrier liquid. The saturation magnetization of the superparamagnetic samples decreased from 24.4 to 4.8 emu/g with decreasing Co2+ composition. The particle size and electrostatic forces between the magnetic particles and the microbes played an essential role in inhibiting microbial growth. Interestingly, the increasing Co2+ composition enhanced the superior performance of the ferrofluids against E. coli, S. aureus, B. subtilis, and C. albicans. With additional extensive investigation, we believe that the prepared Co-doped magnetite double-layered ferrofluids from natural sand with superior antimicrobial performance can be new significant antimicrobial agents.Emergency events are unexpected and dangerous situations which the authorities must manage and respond to as quickly as possible. The main objectives of emergency management are to provide human safety and security, and Social Big Data (SBD) offers an important information source, created directly from eyewitness reports, to assist with these issues. However, the manual extraction of hidden meaning from SBD is both time-consuming and labor-intensive, which are major drawbacks for a process that needs accurate information to be produced in real-time. The solution is an automatic approach to knowledge discovery, and we propose a semantic description technique based on the use of triple store indexing for named entity recognition and relation extraction. Our technique can discover hidden SBD information more effectively than traditional approaches, and can be used for intelligent emergency management.