BCR-ABL Tyrosine Kinase Inhibitors as Candidates for the Treatment of COVID-19: Molecular Docking, Pharmacophore Modeling, ADMET Studies

The novel coronavirus pandemic (COVID-19) caused by SARS-CoV-2 has affected more than 53 million individuals worldwide. Currently, there is a dire need to develop or find potential drugs that can treat SARS-CoV-2 infection. One of the standard methods to accelerate drug discovery and development in pandemics is to screen currently available medications against the critical therapeutic targets to find potential therapeutic agents. The literature has pointed out to the 3CLpro and RdRp proteins as the most important proteins involved in viral replications. In the present study, we used an in-silico modeling approach to examine the affinity of six tyrosine kinases inhibitors (TKIs), Imatinib, Ponatinib, Nilotinib, Gefitinib, Erlotinib, and Dasatinibagainst the 3CLpro and RdRp by calculating the energy balance. The six tested TKIs had energy balance values of more than -7 Kcal/mol for both viral target proteins. Nilotinib and Ponatinib showed the highest affinity for 3CLpro (-8.32, -8.16, respectively) while Dasatinib, Ponatinib, and Imatinib presented the strongest binding toRdRp(-14.50, -10.57, -9.46, respectively). Based on these findings, we recommend future evaluations of TKIs for SARs-CoV-2 infection in-vitro and further testing in clinical trials

Development of industrially viable geopolymers from treated petroleum fly ash

This paper investigates the development of stable geopolymers using petroleum fly ash with high compressive strength and water absorption to promote cleaner production, sustainability, and recycling of waste. The paper provided detailed characterizations of the petroleum fly ash, which involved the determination of the particle size diameter, density, surface area, pore-volume, mineralogical identification of recording X-ray diffraction pattern, X-ray fluorescence, Fourier transform infrared, thermogravimetric analysis, and scanning electron microscope. Moreover, metals leachability from the petroleum fly ash using different extracting agents, namely H2SO4, H3PO4, (NH4)2SO4, NH4NO3, and NH4O2CCO2H was also considered. Five geopolymers were prepared using different amounts of petroleum fly ash to assess the influence of petroleum fly ash on the final performance of the prepared geopolymers. The results revealed that the petroleum fly ash was carbonaceous in nature and rich in vanadium oxide and nickel oxide with low in SiO2 and Al2O3. Furthermore, it was found that petroleum fly ash has a low calcium level. The maximum extraction values were 15.6% for V and 55.6% for Ni using H2SO4. All the prepared geopolymers displayed high compressive strength for longer curing times, and the water absorption properties of all geopolymers were improved by incorporating more petroleum fly ash. Increasing the petroleum fly ash from 0 vol% to 61 vol% increased the water absorption value from 6.6 to 13.3 wt% for the samples collected after 28 days of curing. It was concluded that the petroleum fly ash did tend to form successful stable geopolymers with high compressive strength and water absorption.Scopu

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Traduzione italiana del romanzo "al-Nabaṭī" di Youssef Zieda

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Traduzione italiana del romanzo "Miḥāl" di Youssef Zieda