He initial time cytotoxicity/viability effects of spirostanol saponins on rodent peritoneal cells. The pilot outcomes according to LDH assays should be supplemented by extra viability tests and culture models to clarify biological activities of saponins and their rational applications for human in biomedicine. A vital reality must be noted: the quantitative content material of saponins in the leek flowers is 20 instances higher than inside the edible part of the plant [3,13], so leek flowers might be considered as a new economically advantageous source of saponins. Flowers may possibly even have a diverse chemical composition than other parts on the plant [53]. In our case, it can be only about quantitative variations that play a part. Since leeks are extensively grown in agriculture, the respective saponins might be gained advantageously with no any further investment.Author Contributions: Conceptualization: J.H., M.B., Z.Z., E.K.; Methodology: J.H., M.B. of chemical component, Z.Z. and E.K. of biological part; Investigation: J.H., M.B., Z.Z., E.K.; Writing–original draft preparation: J.H., M.B., Z.Z., E.K.; Writing–review and editing: J.H., E.K.; Funding Acquisition: J.H., E.K.; Supervision: J.H., E.K. All authors have study and agreed for the published version in the manuscript. Funding: This study was funded by investigation project number RVO: 61388963, plus the Czech Science Foundation grant 305/07/0061. The APC was funded by study project RVO: 61388963 in the Institute of Organic Chemistry and Biochemistry, Prague. Institutional Evaluation Board Statement: The Institutional Evaluation Board in the Institute of Experimental Medicine, Czech Academy of Sciences (protocol No. 13/2006) approved the study on murine cells. Informed Consent Statement: Not accessible. Data Availability Statement: Not readily available. Acknowledgments: We thank Kveta Kertisovfor MS recordings and Eric Thibout for delivery of leek flowers cultivated throughout their own analysis in IBEAS UFR Tours. Conflicts of Interest: The authors declare the absence of any conflict of Aztreonam Bacterial,Antibiotic Interest. Sample Availability: Samples from the compounds 1 are obtainable from the authors.
moleculesArticleIn Silico Screening of Semi-Synthesized Compounds as Prospective Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Attributes, Molecular Docking, ADMET, Toxicity and DFT StudiesMohamed S. Alesawy 1 , Eslam B. Elkaeed two , Aisha A. Alsfouk three , Ahmed M. Metwaly 4,5, and Ibrahim H. Eissa 1, Pharmaceutical Medicinal Chemistry and Drug Style Department, Faculty of Pharmacy (Boys), FAUC 365 MedChemExpress Al-Azhar University, Cairo 11884, Egypt; [email protected] Department of Pharmaceutical Sciences, College of Pharmacy, Almaarefa University, Ad Diriyah, Riyadh 13713, Saudi Arabia; [email protected] Division of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah Bint Abdulrahman University, Riyadh 11671, Saudi Arabia; [email protected] Pharmacognosy and Medicinal Plants Division, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt Biopharmaceutical Items Study Department, Genetic Engineering and Biotechnology Research Institute, City of Scientific Analysis and Technological Applications (SRTA-City), Alexandria 21934, Egypt Correspondence: [email protected] (A.M.M.); [email protected] (I.H.E.)Citation: Alesawy, M.S.; Elkaeed, E.B.; Alsfouk, A.A.; Metwaly, A.M.; Eissa, I.H. In Silico Screening of Semi-Synthesized Compounds as Prospective Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features.
