A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19. The spread of SARS-CoV-2 has been faster ...than any other coronaviruses that have succeeded in crossing the animal-human barrier. There is concern that this new virus will spread around the world as did the previous two HCoVs—Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS)—each of which caused approximately 800 deaths in the years 2002 and 2012, respectively. Thus far, 11,268 deaths have been reported from the 258,842 confirmed infections in 168 countries.
In this study, the RNA-dependent RNA polymerase (RdRp) of the newly emerged coronavirus is modeled, validated, and then targeted using different anti-polymerase drugs currently on the market that have been approved for use against various viruses.
The results suggest the effectiveness of Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir as potent drugs against SARS-CoV-2 since they tightly bind to its RdRp. In addition, the results suggest guanosine derivative (IDX-184), Setrobuvir, and YAK as top seeds for antiviral treatments with high potential to fight the SARS-CoV-2 strain specifically.
The availability of FDA-approved anti-RdRp drugs can help treat patients and reduce the danger of the mysterious new viral infection COVID-19. The drugs mentioned above can tightly bind to the RdRp of the SARS-CoV-2 strain and thus may be used to treat the disease. No toxicity measurements are required for these drugs since they were previously tested prior to their approval by the FDA.
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•SARS-CoV-2 RdRp shares 97% sequence identity to SARS.•SARS-CoV-2 RdRp model is built to study different inhibitors.•Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir can bind tightly the RdRp of SARS-CoV-2.•Setrobuvir, YAK, and IDX-184 can be used as potent compounds against SARS-CoV-2 RdRp.
A newly emerged Human Coronavirus (HCoV) is reported two months ago in Wuhan, China (COVID-19). Until today >2700 deaths from the 80,000 confirmed cases reported mainly in China and 40 other ...countries. Human to human transmission is confirmed for COVID-19 by China a month ago. Based on the World Health Organization (WHO) reports, SARS HCoV is responsible for >8000 cases with confirmed 774 deaths. Additionally, MERS HCoV is responsible for 858 deaths out of about 2500 reported cases. The current study aims to test anti-HCV drugs against COVID-19 RNA dependent RNA polymerase (RdRp).
In this study, sequence analysis, modeling, and docking are used to build a model for Wuhan COVID-19 RdRp. Additionally, the newly emerged Wuhan HCoV RdRp model is targeted by anti-polymerase drugs, including the approved drugs Sofosbuvir and Ribavirin.
The results suggest the effectiveness of Sofosbuvir, IDX-184, Ribavirin, and Remidisvir as potent drugs against the newly emerged HCoV disease.
The present study presents a perfect model for COVID-19 RdRp enabling its testing in silico against anti-polymerase drugs. Besides, the study presents some drugs that previously proved its efficiency against the newly emerged viral infection.
•COVID-19 RdRp shares 97% sequence identity to SARS.•COVID-19 RdRp model is built to study inhibitors.•Sofosbuvir, Ribavirin, and Remdesivir can bind to COVID-19 RdRp.•IDX-184 may be used as a seed to obtain a potent inhibitor specific against COVID-19 RdRp.
This paper presents an automatic visual inspection of exterior surface defects of oil tanks using unmanned aerial vehicles (UAVs) and image processing with two cascading fuzzy logic algorithms. ...Corrosion is one of the defects that has a serious effect on the safety of the surface of oil and gas tanks. At present, human inspection, and climbing robots inspection are the dominant approach for rust detection in oil and gas tanks. However, there are many shortcomings to this approach, such as taking longer, high cost, and covering less surface area inspection of the tank. The purpose of this research is to detect the rust in oil tanks by localizing visual inspection technology using UAVs, as well as to develop algorithms to distinguish between defects and noise. The study focuses on two basic aspects of oil tank inspection through the images captured by the UAV, namely, the detection of defects and the distinction between defects and noise. For the former, an image processing algorithm was developed to improve or remove noise, adjust the brightness of the captured image, and extract features to identify defects in oil tanks. Meanwhile, for the latter aspect, a cascading fuzzy logic algorithm and threshold algorithm were developed to distinguish between defects and noise levels and reduce their impact through three stages of processing: The first stage of fuzzy logic aims to distinguish between defects and low noise generated by the appearance of objects on the surface of the tank, such as trees or stairs, and reduce their impact. The second stage aims to distinguish between defects and medium noise generated by shadows or the presence of small objects on the surface of the tank and reduce their impact. The third stage of the thresholding algorithm aims to distinguish between defects and high noise generated by sedimentation on the surface of the tank and reduce its impact. The samples were classified based on the output of the third stage of the threshold process into defective or non-defective samples. The proposed algorithms were tested on 180 samples and the results show its superiority in the inspection and detection of defects with an accuracy of 83%.
New treatment against SARS-CoV-2 now is a must. Nowadays, the world encounters a huge health crisis by the COVID-19 viral infection. Nucleotide inhibitors gave a lot of promising results in terms of ...its efficacy against different viral infections. In this work, molecular modeling, docking, and dynamics simulations are used to build a model for the viral protein RNA-dependent RNA polymerase (RdRp) and test its binding affinity to some clinically approved drugs and drug candidates. Molecular dynamics is used to equilibrate the system upon binding calculations to ensure the successful reproduction of previous results, to include the dynamics of the RdRp, and to understand how it affects the binding. The results show the effectiveness of Sofosbuvir, Ribavirin, Galidesivir, Remdesivir, Favipiravir, Cefuroxime, Tenofovir, and Hydroxychloroquine, in binding to SARS-CoV-2 RdRp. Additionally, Setrobuvir, YAK, and IDX-184, show better results, while four novel IDX-184 derivatives show promising results in attaching to the SARS-CoV-2 RdRp. There is an urgent need to specify drugs that can selectively bind and subsequently inhibit SARS-CoV-2 proteins. The availability of a punch of FDA-approved anti-viral drugs can help us in this mission, aiming to reduce the danger of COVID-19. The compounds 2 and 3 may tightly bind to the SARS-CoV-2 RdRp and so may be successful in the treatment of COVID-19.
Communicated by Ramaswamy H. Sarma
SARS-CoV-2 has been emerged in December 2019 in China, causing deadly (5% mortality) pandemic pneumonia, termed COVID-19. More than one host-cell receptor is reported to be recognized by the viral ...spike protein, among them is the cell-surface Heat Shock Protein A5 (HSPA5), also termed GRP78 or BiP. Upon viral infection, HSPA5 is upregulated, then translocating to the cell membrane where it is subjected to be recognized by the SARS-CoV-2 spike. In this study, some natural product compounds are tested against the HSPA5 substrate-binding domain β (SBDβ), which reported to be the recognition site for the SARS-CoV-2 spike. Molecular docking and molecular dynamics simulations are used to test some natural compounds binding to HSPA5 SBDβ. The results show high to a moderate binding affinity for the phytoestrogens (Diadiazin, Genistein, Formontein, and Biochanin A), chlorogenic acid, linolenic acid, palmitic acid, caffeic acid, caffeic acid phenethyl ester, hydroxytyrosol, cis-p-Coumaric acid, cinnamaldehyde, thymoquinone, and some physiological hormones such as estrogens, progesterone, testosterone, and cholesterol to the HSPA5 SBDβ. Based on its binding affinities, the phytoestrogens and estrogens are the best in binding HSPA5, hence may interfere with SARS-CoV-2 attachment to the stressed cells. These compounds can be successful as anti-COVID-19 agents for people with a high risk of cell stress like elders, cancer patients, and front-line medical staff.
Communicated by Ramaswamy H. Sarma
Epoxy is considered to be the most popular polymer and is widely used in various engineering applications. However, environmental considerations require natural materials-based epoxy. This necessity ...results in further utilization of natural materials as a natural reinforcement for different types of composites. Corn cob is an example of a natural material that can be considered as an agricultural waste. The objective of the present work is to improve the economic feasibility of corn cob by converting the original corn cob material into powder to be utilized in reinforcing epoxy-based composites. In the experiment, the corn cob was crushed and ground using a grain miller before it was characterized by scanning electron microscopy (SEM). The corn cob powder was added to the epoxy with different weight fractions (2, 4, 6, 8, 10 wt%). In order to prevent corn cob powder agglomeration and ensure homogeneous distribution of the reinforcement inside the epoxy, the ultrasonic technique and a mechanical stirrer were used. Then, the composite's chemical compositions were evaluated using X-ray diffraction (XRD). The mechanical experiments showed an improvement in the Young's modulus and compressive yield strength of the epoxy composites, increasing corn cob up to 8 wt% by 21.26% and 22.22%, respectively. Furthermore, tribological tests revealed that reinforcing epoxy with 8 wt% corn cob can decrease the coefficient of friction by 35% and increase wear resistance by 4.8%. A finite element model for the frictional process was constructed to identify different contact stresses and evaluate the load-carrying capacity of the epoxy composites. The finite element model showed agreement with the experimental results. An epoxy containing 8 wt% corn cob demonstrated the optimal mechanical and tribological properties. The rubbed surfaces were investigated by SEM to identify the wear mechanism of different composites.
Understanding the novel coronavirus (COVID-19) mode of host cell recognition may help to fight the disease and save lives. The spike protein of coronaviruses is the main driving force for host cell ...recognition.
In this study, the COVID-19 spike binding site to the cell-surface receptor (Glucose Regulated Protein 78 (GRP78)) is predicted using combined molecular modeling docking and structural bioinformatics. The COVID-19 spike protein is modeled using its counterpart, the SARS spike.
Sequence and structural alignments show that four regions, in addition to its cyclic nature have sequence and physicochemical similarities to the cyclic Pep42. Protein-protein docking was performed to test the four regions of the spike that fit tightly in the GRP78 Substrate Binding Domain β (SBDβ). The docking pose revealed the involvement of the SBDβ of GRP78 and the receptor-binding domain of the coronavirus spike protein in recognition of the host cell receptor.
We reveal that the binding is more favorable between regions III (C391-C525) and IV (C480-C488) of the spike protein model and GRP78. Region IV is the main driving force for GRP78 binding with the predicted binding affinity of -9.8 kcal/mol. These nine residues can be used to develop therapeutics specific against COVID-19.
•The nanoparticles of Co0.5Cu0.5SmxFe2-xO4 (CCS) were exploited to remove the noxious Rhodamine B dye from pollutant water.•The STEM-EDX micrographs confirmed the purity and the nanocrystalline ...nature of the CCS samples.•Mgnetic parameters besides microwave frequency and switching field distributions response were determined by VSM results.•Kubelka and Munk (K-M) theory was utilized the DR measurements, to determine the direct band gap of CCS nanoferrites.•Astonishingly, maximum degradation percentage was aggrandized to be 94.36%, under 270 min, for the nanoferrite with x = 0.15.
The nanoparticles of Co0.5Cu0.5SmxFe2−xO4 (0 ≤x ≤ 0.15) (CCS) were synthesized with the citrate combustion approach and then exploited to remove the noxious Rhodamine B (RhB) dye from the pollutant water. Before this mission of RhB disposal began, the CCS ferrite nanoparticles were comprehensively characterized by progressing analysis; as XRD, FTIR, STEM, VSM, DRS. The average crystallite size estimated using Williamson-Hall (W–H) method is in the range (75–45 nm). FTIR spectra exhibits the two finger print bands υ1 (~572) and υ2 (~375) of spinel ferrites. The STEM-EDX micrographs confirmed the purity, nanocrystalline nature of the CCS samples and existence of all the constituents' elements; Co, Cu, Sm, Fe and O ions without any other impurities. A gradual decrease for Ms values is remarked with further Sm3+ ions substitution; from MS= 55.373 emu/g (at x = 0.0) to MS= 43.981 emu/g (at x = 0.15). Coercivity shows a distinct behavior; increased from 892.81 Oe at pristine Co–Cu sample reaching a maximum value 1112.70 Oe (at x = 0.09) and then decreased to 983.09 Oe (for x = 0.15). The microwave frequency of the CCS nanoferrites is in the range 12.25–9.73 GHz. The pristine Co–Cu nanoparticles has band gap 1.57 eV, whereas all Sm3+ substituted nanoferrites have lower band gap values as 1.51, 1.55, 1.44, 1.51 and 1.36 eV with further Sm3+ ion substitution process. The photocatalytic activity of the nano-Co0.5Cu0.5SmxFe2−xO4 catalysts were scrutinized by the degradation of RhB dye using simulated sunlight source. Astonishingly, maximum degradation percentage was aggrandized to be 94.36%, under 270 min, for the nanoferrite with x = 0.15. Therefore, it is concluded that Sm doped Co–Cu nanoferrites is more convenient candidate for wastewater treatment applications besides switching, and high frequency absorption applications in microwave region.
The human coronavirus (HCoV), SARS-CoV-2, caused more than 34 M confirmed infections from which more than 1 M deaths are reported until now (the WHO situation report-154). The current pandemic causes ...severe socio-economic burden. Due to the importance of understanding of the mode of recognition and viral entry, spike protein shed drug designers as the first look protein target with the first released solved structure on 26 February 2020 (PDB ID: 6VSB). It is proposed that the recognition site for GRP78 is found in SARS-CoV-2 and the immersed human coronaviruses but experimental validation is still required.
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