Yazar "Saadh, Mohamed J." seçeneğine göre listele

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    Effects of Stevia on Hypertension of Metabolic Syndrome: A Systematic Review
    (Sami Publishing Company, 2023) Saadh, Mohamed J.; Thiyagarajan, Sivapriya; Cotrina-Aliaga, Juan Carlos; Suleiman, Mohammed I.; Fahdil, Ali A.; Ahjel, Salam; Soleimanian, Abtin
    By the importance of dealing with metabolic syndrome (MetS), this work was performed to systematically review available articles on effects of stevia on hypertension as a leading risk factor of metabolic syndrome. The stevia extracts are natural resource of non-caloric sweeteners and they attracted attentions of researchers especially in recent years for dealing with the issues of metabolic syndrome. To this aim, stevia effects on hypertension were reviewed based on the obtained results of original research publications of the following electronic databases: Web of Science, Scopus, and PubMed, from 2010 to June 2022. The following search strategy was used: (stevia OR stevia rebaudiana OR sweet leaf OR stevioside) AND (hypertension OR blood pressure). Six articles were eligible to be included in this review; three in vivo studies, one in vivo/in vitro study, and two clinical trials. Based on the results of in vivo studies, positive effects of stevia on lowering blood pressure were found besides observing an enzymatic inhibition activity through the in vitro results. The results of one of clinical trials reported a significant reduction in blood pressure after twelve weeks of stevia consumption, but the other one did not report any significant effect. Although the relatively low methodological rigor of these experiments limits the strength of these findings, further clinical trials and regulatory assessments are warranted. © 2023 by SPC (Sami Publishing Company).
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    Exploring Impacts of Oil and Water Environments on Structural and Electronic Features of Vitamin B3 along with DFT Calculations
    (Sami Publishing Company, 2023) Saadh, Mohamed J.; Muhammad, Faris Anad; Mahdavi, Romina; Parizi, Yasaman Nazariyan; Balali, Ebrahim; Cotrina-Aliaga, Juan Carlos; Adil, Mohaned
    Density functional theory (DFT) calculations were performed to investigate the features of vitamin B3 (Vit-B3) in oil and water environments. Two up and down structural conformations were found based on the orientation of hydrogen atom of attached carboxylic acid group to pyridine scaffold, in which the up-conformation was found more suitable than the down-conformation. The models were stabilized in gas phases and 1-octanol and water solvents environments to explore the partition coefficient (LogP) for each conformation. In addition, the electronic features were investigated based on frontier molecular orbital levels. The results of this work indicated a higher suitability of formation for the up-conformation in all three environments and the highest suitability of formation of both up and down conformations in water medium. Accordingly, the LogP value was found smaller than one indicating watery tendency for the models. As a final remark, the structural and electronic features of Vit-B3 indicated insights into its development for further applications. © 2023 by SPC (Sami Publishing Company).
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    Structural and electronic assessments of Thiamazole adsorption on the transition metal doped fullerenes as a potential smart drug delivery platform
    (Elsevier, 2024) Saadh, Mohamed J.; Ayesh, Ahmad I.; El-Muraikhi, Maitha D.; Dhiaa, Shahad M.; Shomurotova, Shirin; Ahmadi, Temer S.; Mirzaei, Mahmoud
    Adsorption of Thiamazole (TZOL, a medication to treat hyperthyroidism) on the transition metal (TM) doped fullerenes (MF) is investigated to gain insight into the potential development of a smart drug delivery platform. In this computational study, molecular models of adsorbed TZOL on TM-doped and undoped fullerenes were optimized and their structural and electronic features were evaluated using density functional theory (DFT) and the quantum theory of atoms in molecules (QTAIM). The TM-doped models were created by substituting a carbon atom of the original fullerene (F) with a metal atom of the first row of transition metals, yielding ten different MF models. TZOL adsorbate (TZOL@MF) showed stronger interaction through its sulphur group binding to the doped metal in comparison to the original carbon fullerene, i.e. TZOL@F. Our calculations indicate that the most stable conjugate system was TZOL on the vanadium-doped fullerene (TZOL@VF) with a free energy of -37.78 kcal/mol followed by Mn-doped fullerene (-36.86 kcal/mol) while that of all undoped fullerene is -9.18 kcal/ mol. The impact of water on the stability of TZOL@MFs was investigated and results show that aqueous phases are even more stable than the gaseous phase, again, with TZOL@VF being the most stable of the conjugate adsorbate/adsorbent pair. Frontier molecular orbital analysis showed significant changes of electronic environment from the MF adsorbent to the TZOL@MF conjugated models. HOMO and LUMO levels and their gap energy detected the variations of electronic environment upon adsorption of TZOL, making this system a potential drug delivery platform capable of detection of loaded and released drug molecules.