https://mongoliajol.info/index.php/MJC/issue/feedMongolian Journal of Chemistry2024-02-01T00:00:00+00:00Dr. Munkhtsetseg Tsedneemonjourchem@mas.ac.mnOpen Journal Systems<p>published by the Institute of Chemistry and Chemical Technology, Mongolian Academy of Sciences.</p> <p><strong>Abstracting and indexing in</strong> <a title="DOAJ" href="https://doaj.org/toc/2414-0082" target="_blank" rel="noopener">DOAJ</a>, <a title="EBSCO" href="https://www.ebscohost.com/discovery" target="_blank" rel="noopener">EBSCO Discovery Service</a>, <a title="Google Scholar" href="https://scholar.google.com" target="_blank" rel="noopener">Google Scholar</a>, <a title="MJC" href="https://app.dimensions.ai/discover/publication?and_facet_source_title=jour.1148887" target="_blank" rel="noopener">Dimensions</a>, <strong>CAS databases, <a title="CNKI" href="https://enscholar.cnki.net/journal/search" target="_blank" rel="noopener">CNKI</a>, </strong>and <a title="MJC - Scopus" href="https://www.scopus.com/sourceid/21100941615" target="_blank" rel="noopener"><strong>Scopus</strong></a></p>https://mongoliajol.info/index.php/MJC/article/view/2909Study of Oxadiazole derivatives as precursor for multi-functional inhibitor to SARS-CoV-2: A detailed virtual screening analysis2023-11-16T06:11:43+00:00Vikash Kumarvk101295vikash@gmail.comSumit Kumarsumitkrmgr@gmail.com<p>SARS-CoV-2, the virus responsible for the COVID-19 pandemic, is highly contagious and has caused widespread loss of life. In the quest to find effective antiviral agents, attention has turned to oxadiazole derivatives, which are known for their potential antiviral properties in such as CoViTris2020, ChloViD2020, etc. To evaluate their effectiveness, molecular docking and molecular dynamics simulations are conducted for various oxadiazole derivative in interactions with critical proteins involved in the viral infection process. These proteins encompass transmembrane-serine-2 (TMPRSS2), 3-chymotrypsin-like-protease (3CLpro), angiotensin-converting-enzyme-2 (ACE2), and papain-like-protease (PLpro). The study shows that the oxadiazole derivatives exhibited their most stable complexes when interacting with TMPRSS2 in comparison to 3CLpro, ACE2, and PLpro. In particular, Oxa8 displayed a binding energy of -6.52 kcal/mol with TMPRSS2. In contrast, the binding energies with ACE2, 3CLpro, and PLpro were -5.74, -4.56, and -5.56 kcal/mol, respectively. RMSD analysis during MD simulations demonstrated that the complex structure remained consistently stable. During the initial 2 ns, the RMSD value for the ligand concerning its interaction with the protein backbone hovered around 2 Å, indicating a sustained level of structural stability. In conclusion, this study suggests that oxadiazole derivative Oxa8 holds promise as a potential inhibitor of SARS-CoV-2, particularly due to its strong binding affinity with TMPRSS2 and its enduring structural stability observed in molecular dynamics simulations.</p>2024-02-01T00:00:00+00:00Copyright (c) 2024 Sumit Kumar, Vikashhttps://mongoliajol.info/index.php/MJC/article/view/2934Cytotoxicity screening of 114 Mongolian plant extracts on liver, colon, breast, and cervix cancer cell lines2023-09-30T05:45:51+00:00Sarangerel Oidovsambuusarangerel_o@mas.ac.mnTuul Tsagaantsoojtuul.tsj@gmail.comDavaapurev Bekh-Ochirdavaapurev@seas.num.edu.mnNomin Myagmarnomin.m@mas.ac.mnIndra Batjikhindak09@gmail.comSaruul Erdenebilegsaruul_erdenebileg@yahoo.comOrgilkhatan Munkhuukhatan0505@dncbiotech.comOdgerel Oidovsambuuodgerel@seas.num.edu.mnBatkhuu Javzanjbatkhuu@num.edu.mn<p>A total of 114 Mongolian plant species were subjected to cytotoxicity screening against liver (HepG2), colon (HCT116), breast (MCF7), and cervical (HeLa) cancer cell lines. Among them, ethanolic extracts of <em>Androsace incana</em>, <em>Artemisia rutifolia</em>, <em>Saussurea amara</em>, and <em>Inula salsoloides</em> exhibited remarkable cytotoxicity, with IC<sub>50</sub> values below 1.5 μg/mL against at least 2 tested cell lines when treated for 48 hours. <em>Erysimum flavum</em>, <em>Juniperus sibirica</em>, and <em>Stellaria dichotoma</em> demonstrated selective cytotoxicity against specific cancer cell lines. Extracts from 23 plant species, such as <em>Artemisia xerophytica</em>, <em>Ajania trifida</em>, <em>Melandrium brachypetalum</em>, <em>Brachanthemum mongolicum</em>, and <em>Rhinanthus songaricus</em>, showed moderate toxicity. Further research on the phytochemicals and biological activities of these species is crucial for a deeper understanding and potential applications. These screening results of the cytotoxic effects of numerous Mongolian plants could establish a foundational dataset for subsequent comprehensive studies on the screened plants.</p>2024-03-27T00:00:00+00:00Copyright (c) 2024 Sarangerel Oidovsambuu, Tuul Tsagaantsooj, Davaapurev Bekh-Ochir, Nomin Myagmar, Indra Batjikh, Saruul Erdenebileg, Orgilkhatan Munkhuu, Odgerel Oidovsambuu, Batkhuu Javzan