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<Article>
<Journal>
				<PublisherName>University of Guilan</PublisherName>
				<JournalTitle>Caspian Journal of Environmental Sciences</JournalTitle>
				<Issn>1735-3033</Issn>
				<Volume></Volume>
				<Issue></Issue>
				<PubDate PubStatus="epublish">
					<Year>2024</Year>
					<Month>01</Month>
					<Day>22</Day>
				</PubDate>
			</Journal>
<ArticleTitle>In silico antimicrobial activity of Hypericum perforatum to inhibit some enzymes of three bacterial species and in vitro antimicrobial effects of its extracts</ArticleTitle>
<VernacularTitle></VernacularTitle>
			<FirstPage>1</FirstPage>
			<LastPage>11</LastPage>
			<ELocationID EIdType="pii">7469</ELocationID>
			
<ELocationID EIdType="doi">10.22124/cjes.2024.7469</ELocationID>
			
			<Language>EN</Language>
<AuthorList>
<Author>
					<FirstName>Leila</FirstName>
					<LastName>Ghodrati</LastName>
<Affiliation>Department of Medicinal Plants, Shahrekord Branch, Islamic Azad University, Shahrekord, Iran</Affiliation>

</Author>
<Author>
					<FirstName>Mehrdad</FirstName>
					<LastName>Ataie Kachoie</LastName>
<Affiliation>Department of Medicinal Plants, Shahrekord Branch, Islamic Azad University, Shahrekord, Iran</Affiliation>

</Author>
</AuthorList>
				<PublicationType>Journal Article</PublicationType>
			<History>
				<PubDate PubStatus="received">
					<Year>2024</Year>
					<Month>01</Month>
					<Day>22</Day>
				</PubDate>
			</History>
		<Abstract>&lt;em&gt;Hypericum perforatum&lt;/em&gt; is a medicinal plant of the Family &lt;em&gt;Hypericaceae&lt;/em&gt; with phenolic and flavonoid compounds with high antimicrobial properties. The present study was aimed to assess the antimicrobial effects of &lt;em&gt;H. perforatum&lt;/em&gt; ethanolic, acetone, and triethylamine extracts against pathogenic bacteria. The &lt;em&gt;H. perforatum&lt;/em&gt; aerial parts were prepared, dried, powdered and used to prepare ethanolic, acetone, and triethylamine extracts by maceration method. Phytochemical components were detected using high-performance liquid chromatography (HPLC). The diameter of the growth inhibition zones of bacteria was assessed using disk diffusion. Minimum inhibitory concentration (MIC) and minimum bacterial concentration (MBC) of extracts were evaluated using an ELISA plate and compared to antibiotics. Hypericin, pseudohypericin and hyperforin derivatives were identified in ethanolic extract. According to molecular docking, hypericin exhibited high binding energy to Beta-Lactamase &lt;em&gt;Escherichia coli &lt;/em&gt;(-6.88 kj/mol), Glycosyltransferase-&lt;em&gt;Staphylococcus &lt;/em&gt;bacterial enzymes (-6.47 kj/mol) and Pseudohypericin with Porin D-&lt;em&gt;Pseudomonas aeruginosa&lt;/em&gt; (-8.31 kj/mol). Pseudohypericin connection was almost higher than the three antibiotics, i.e., Ceftazidime (-7.86 kj/mol), Imipenem (-8.79 kj/mol) and Vancomycin (-5.25 kj/mol) with Porin D. Only 3 components were identified in the acetone and triethylamine extracts, respectively. The growth inhibition zone of bacteria was in the range of 17.72 ± 1.31 to 4.61 ± 0.17 mm. &lt;em&gt;H. perforatum&lt;/em&gt; antimicrobial effects were dose-dependent up to 50 mg mL&lt;sup&gt;-1&lt;/sup&gt; concentration (p &lt; 0.05). Application of 50 mg mL&lt;sup&gt;-1&lt;/sup&gt; &lt;em&gt;H. perforatum&lt;/em&gt; ethanolic extract exhibited the largest growth inhibition zone of &lt;em&gt;Staphylococcus aureus&lt;/em&gt; (17.72 ± 1.31 mm), &lt;em&gt;Escherichia coli&lt;/em&gt; (14.51 ± 1.22 mm), &lt;em&gt;Pseudomonas aeruginosa&lt;/em&gt; (13.97 ± 1.18 mm), and &lt;em&gt;Acinetobacter baumannii&lt;/em&gt; (10.20 ± 0.56 mm). The growth inhibition zone of &lt;em&gt;H. perforatum&lt;/em&gt; was significantly higher than some tested antibiotics (p &lt; 0.05). The lowest MIC (12.50 mg mL&lt;sup&gt;-1&lt;/sup&gt;) and MBC (25 mg mL&lt;sup&gt;-1&lt;/sup&gt;) were obtained for the &lt;em&gt;H. perforatum&lt;/em&gt; ethanolic extract, ceftazidime, imipenem, and vancomycin. &lt;em&gt;H. perforatum&lt;/em&gt; triethylamine extract displayed the highest MIC and MBC values. Given the high growth inhibition zone, as well as low MIC and MBC levels of &lt;em&gt;H. perforatum&lt;/em&gt; ethanolic extract (50 mg mL&lt;sup&gt;-1&lt;/sup&gt;) in comparison with the antibiotic agents, it can be recommended as an economical source of antimicrobials.</Abstract>
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			<Object Type="keyword">
			<Param Name="value">Hypericum perforatum</Param>
			</Object>
			<Object Type="keyword">
			<Param Name="value">Extract</Param>
			</Object>
			<Object Type="keyword">
			<Param Name="value">Antimicrobial effects</Param>
			</Object>
			<Object Type="keyword">
			<Param Name="value">Pathogenic bacteria</Param>
			</Object>
		</ObjectList>
<ArchiveCopySource DocType="pdf">https://cjes.guilan.ac.ir/article_7469_76006ef5faee4c1577bcb8cd3153f178.pdf</ArchiveCopySource>
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