The pandemic SARS-CoV-2 is highly transmittable with its proliferation among nations. This study aims to design and exploring the efficacy of novel nirmatrelvir derivatives as SARS entry inhibitors by adapting a molecular modeling approach combined with theoretical design. The study focuses on the preparation of these derivatives and understanding their effectiveness, with a special focus on their binding affinity to the S protein, which is pivotal for the virus’s access to the host cell. Considering molecular docking aspects in the scope of a study on nirmatrelvir derivatives and S protein, dynamics simulations with 25 nanoseconds of their binding are explored. The study shows that these derivatives might work as effective antivi

The necessary optimality conditions with Lagrange multipliers  are studied and derived for a new class that includes the system of Caputo–Katugampola fractional derivatives to the optimal control problems with considering the end time free. The formula for the integral by parts has been proven for the left Caputo–Katugampola fractional derivative that contributes to the finding and deriving the necessary optimality conditions. Also, three special cases are obtained, including the study of the necessary optimality conditions when both the final time  and the final state  are fixed. According to convexity assumptions prove that necessary optimality conditions are sufficient optimality conditions.

     The objective of present study is to identify the adverse effects of cyclosporine A drug and the protective role of garlic in cytotoxicity test, including sperms deformation and histological changes in testes tissues of male albino rats. The study recorded significant increase p≥0.05 in sperms head and tail deformation rates in groups that were administrated cyclosporine and cyclosporine + garlic for two weeks compared with control groups which were administrated olive oil and garlic. The study reported significant decrease p≥0.05 in sperms head and tail deformation rates in the group that was administrated cyclosporine + garlic compared with group that was administrated cyclosporine only. In addition, the study also indicat

Hypertension is a major health problem throughout the world because of its high prevalence and its association with increased risk of cardiovascular diseases. It is defined as systolic blood pressure ≥ 140 mmHg and/or diastolic blood pressure ≥ 90 mmHg. The aim of this study was to compare the efficacy, safety and cardiovascular disease risk lowering ability, of three antihypertensive drug regimens.

A retrospective study was carried out on 66 hypertensive patients, divided in to three groups based on their antihypertensive drug regimens (ACE inhibitors, β-blockers treated and combination antihypertensive therapy, the combination therapy consist of two or more of the following antihypertensive drugs ACE inhibitor di

In this work , the ligand [N-(4-Methoxybenzoyl amino)-thioxomethyl] Methionine acid  has been synthesized by the reaction of 4- Methoxybenzoyl isothiocyanate with methionine acid . The metal complexes were prepared through the reaction of metals chlorides of Co(II) , Ni(II), Cu(II), Zn(II) and Cd(II) in ethanol as solvent . The ligand (MbM) and its metal complexes have been characterized by elemental analysis (CHNS), IR, 1H-13CNMR and UV- Vis spectra, magnetic susceptibility measurements, molar conductivity, melting points and atomic absorption. The metal-ligand ratio was determined by mole ratio method. The suggested structures for the Co(II), Ni(II), Cd(II) and Zn(II) complexes are tetrahedral geometry and  the Cu(II) complex

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    The use of varied quantities of orphenadrine to protect stainless steel against corrosion in an acidic media at 298 K has been investigated. It was observed that when the drug's concentration is increased, the drug's speed of corrosion lowers. The data of inhibition efficiency (percent IE) in the presence of orphenadrine drug and corrosion resistance showed that the highest protection efficiency was achieved with the best concentration, and that the corrosion rate decreased with increasing orphenadrine drug concentrations, making it a good inhibitor for stainless steel in an acidic environment. The theoretical investigation proved the efficiency of the drug for inhibition, as the drug is absorbed on the surface of the stainless st

The outstanding evidence of phthalimide pharmacophore in securing enhanced biological activities had encouraged further research and development into phthalimide-based derivatives as potential new drugs. In this study, phthalimide core was hybridized with aldehydes giving integrated imines displaying different types of functionalities and at alternating positions. The resulting compounds, therefore, provide an innovative window to explore possible differential biological effects as antioxidants and anticancer agents. A total of sixteen compounds were synthesized, and each was verified by FT-IR, H NMR, C NMR, and MS characterization. Herein, a facile single-step synthesis method was employed substituting the conventional two-step che

2-(1,2-dihydroxy ethyl -1- (2-mercaptophenyl)-5-(2-mercaptophenyl imino)-2,5-dihydro-1H-pyrrol-3,4-diol(H2L`)a lactam derivative of L-ascorbic acid was prepared by reaction of 5,6-O-isopropylidene L-ascorbic acid with 2-amino thiophenol in a mole ratio of (1:2) respectinely. A series of new metal complexes of this ligand (H2L`) were prepared by a reaction with the chlorides of Cr(III), Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II). The new ligand and its metal complexes were characterized by C.H.N.,1H and 13C NMR, IR as well as UV-Visible spectra and mass spectra of Ni(II) and Zn(II) complexes was also done. Atomic absorption of the metal percentage, electrical conductivity and magnetic measurements at room temperature was ca

In this research, Schiff bases derived from the reaction of anthrone with different heterocyclic amines have been described. The resulted Schiff base compounds were reacted with various nucleophiles in order to obtain new heterocyclic derivatives. Chemical structures of all products were confirmed by IR, 1H-, 13C-NMR spectral data and elemental analysis. All synthesized compounds were in vitro tested against a standard strain of pathogenic microorganism including Gram +ve bacteria (Staphylococcus aureus), Gram –ve bacteria (Escherichia coli), and fungi (Candida albicans).