Chrysophanol, Physcion, Hesperidin and Curcumin Modulate the Gene Expression of Pro-Inflammatory Mediators Induced by LPS in HepG2: In Silico and Molecular Studies.
Identifieur interne : 000278 ( Main/Exploration ); précédent : 000277; suivant : 000279Chrysophanol, Physcion, Hesperidin and Curcumin Modulate the Gene Expression of Pro-Inflammatory Mediators Induced by LPS in HepG2: In Silico and Molecular Studies.
Auteurs : Nabil Mohamed Selim [Égypte] ; Abdullah Abdurrahman Elgazar [Égypte] ; Nabil Mohie Abdel-Hamid [Égypte] ; Mohammed Rizk Abu El-Magd [Égypte] ; Aziz Yasri [Maroc] ; Hala Mohamed El Hefnawy [Égypte] ; Mansour Sobeh [Maroc, Allemagne]Source :
- Antioxidants (Basel, Switzerland) [ 2076-3921 ] ; 2019.
Abstract
Hepatitis is an inflammatory condition that can develop hepatocellular carcinoma. Traditional medicine has always been the pillar of medical practice. However, it became less compatible with the current understanding of the diseases and the possible treatment. Therefore, in silico tools could be utilized for building the bridge between the legacy of the past and the current medical approaches allowing access to new therapeutic discoveries. In this work, a Chinese traditional medicine database was screened using structure-based virtual screening to identify molecules that could inhibit p38 alpha mitogen-activated protein kinase (MAPK). Out of the identified compounds, four selected compounds: chrysophanol, physcion, curcumin and hesperidin were isolated from their respective sources and their structures were confirmed by spectroscopic methods. These compounds decreased the gene expression of tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6) and interleukin-1beta (IL-1β) in lipopolysaccharide (LPS) induced inflammation in a hepatocellular carcinoma cell line (HepG2) in a dose-dependent manner. The molecular docking study revealed the specificity of these compounds towards p38 MAPK rather than other MAPKs. In conclusion, the molecular and in silico studies suggest that the isolated compounds could be a potential treatment for hepatitis by resolving inflammation controlled by MAPKs, thus limiting the development of further complications and lower side effects.
DOI: 10.3390/antiox8090371
PubMed: 31484451
PubMed Central: PMC6770650
Affiliations:
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Pharmacy, Cairo University, Cairo 12613, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 12613</wicri:regionArea><wicri:noRegion>Cairo 12613</wicri:noRegion></affiliation></author><author><name sortKey="Elgazar, Abdullah Abdurrahman" sort="Elgazar, Abdullah Abdurrahman" uniqKey="Elgazar A" first="Abdullah Abdurrahman" last="Elgazar">Abdullah Abdurrahman Elgazar</name><affiliation wicri:level="1"><nlm:affiliation>Department of Pharmacognosy, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Department of Pharmacognosy, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516</wicri:regionArea><wicri:noRegion>Kafrelsheikh 33516</wicri:noRegion></affiliation></author><author><name sortKey="Abdel Hamid, Nabil Mohie" sort="Abdel Hamid, Nabil Mohie" uniqKey="Abdel Hamid N" first="Nabil Mohie" last="Abdel-Hamid">Nabil Mohie Abdel-Hamid</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biochemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Department of Biochemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516</wicri:regionArea><wicri:noRegion>Kafrelsheikh 33516</wicri:noRegion></affiliation></author><author><name sortKey="El Magd, Mohammed Rizk Abu" sort="El Magd, Mohammed Rizk Abu" uniqKey="El Magd M" first="Mohammed Rizk Abu" last="El-Magd">Mohammed Rizk Abu El-Magd</name><affiliation wicri:level="1"><nlm:affiliation>Department of Anatomy, Faculty of Veterinary Medicine, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Department of Anatomy, Faculty of Veterinary Medicine, Kafrelsheikh University, Kafrelsheikh 33516</wicri:regionArea><wicri:noRegion>Kafrelsheikh 33516</wicri:noRegion></affiliation></author><author><name sortKey="Yasri, Aziz" sort="Yasri, Aziz" uniqKey="Yasri A" first="Aziz" last="Yasri">Aziz Yasri</name><affiliation wicri:level="1"><nlm:affiliation>AgroBioSciences Research Division, Mohammed VI Polytechnic University, Lot 660-Hay MoulayRachid, Ben-Guerir 43150, Morocco.</nlm:affiliation><country xml:lang="fr">Maroc</country><wicri:regionArea>AgroBioSciences Research Division, Mohammed VI Polytechnic University, Lot 660-Hay MoulayRachid, Ben-Guerir 43150</wicri:regionArea><wicri:noRegion>Ben-Guerir 43150</wicri:noRegion></affiliation></author><author><name sortKey="Hefnawy, Hala Mohamed El" sort="Hefnawy, Hala Mohamed El" uniqKey="Hefnawy H" first="Hala Mohamed El" last="Hefnawy">Hala Mohamed El Hefnawy</name><affiliation wicri:level="1"><nlm:affiliation>Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 12613, Egypt.</nlm:affiliation><country xml:lang="fr">Égypte</country><wicri:regionArea>Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 12613</wicri:regionArea><wicri:noRegion>Cairo 12613</wicri:noRegion></affiliation></author><author><name sortKey="Sobeh, Mansour" sort="Sobeh, Mansour" uniqKey="Sobeh M" first="Mansour" last="Sobeh">Mansour Sobeh</name><affiliation wicri:level="1"><nlm:affiliation>AgroBioSciences Research Division, Mohammed VI Polytechnic University, Lot 660-Hay MoulayRachid, Ben-Guerir 43150, Morocco. sobeh@uni-heidelberg.de.</nlm:affiliation><country xml:lang="fr">Maroc</country><wicri:regionArea>AgroBioSciences Research Division, Mohammed VI Polytechnic University, Lot 660-Hay MoulayRachid, Ben-Guerir 43150</wicri:regionArea><wicri:noRegion>Ben-Guerir 43150</wicri:noRegion></affiliation><affiliation wicri:level="3"><nlm:affiliation>Institute of Pharmacy and Molecular Biotechnology, Heidelberg University, Im Neuenheimer Feld 364, 69120 Heidelberg, Germany. sobeh@uni-heidelberg.de.</nlm:affiliation><country xml:lang="fr">Allemagne</country><wicri:regionArea>Institute of Pharmacy and Molecular Biotechnology, Heidelberg University, Im Neuenheimer Feld 364, 69120 Heidelberg</wicri:regionArea><placeName><region type="land" nuts="1">Bade-Wurtemberg</region><region type="district" nuts="2">District de Karlsruhe</region><settlement type="city">Heidelberg</settlement></placeName></affiliation></author></analytic><series><title level="j">Antioxidants (Basel, Switzerland)</title><idno type="ISSN">2076-3921</idno><imprint><date when="2019" type="published">2019</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Hepatitis is an inflammatory condition that can develop hepatocellular carcinoma. Traditional medicine has always been the pillar of medical practice. However, it became less compatible with the current understanding of the diseases and the possible treatment. Therefore, in silico tools could be utilized for building the bridge between the legacy of the past and the current medical approaches allowing access to new therapeutic discoveries. In this work, a Chinese traditional medicine database was screened using structure-based virtual screening to identify molecules that could inhibit p38 alpha mitogen-activated protein kinase (MAPK). Out of the identified compounds, four selected compounds: chrysophanol, physcion, curcumin and hesperidin were isolated from their respective sources and their structures were confirmed by spectroscopic methods. These compounds decreased the gene expression of tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6) and interleukin-1beta (IL-1β) in lipopolysaccharide (LPS) induced inflammation in a hepatocellular carcinoma cell line (HepG2) in a dose-dependent manner. The molecular docking study revealed the specificity of these compounds towards p38 MAPK rather than other MAPKs. In conclusion, the molecular and in silico studies suggest that the isolated compounds could be a potential treatment for hepatitis by resolving inflammation controlled by MAPKs, thus limiting the development of further complications and lower side effects.</div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">31484451</PMID><DateRevised><Year>2020</Year><Month>10</Month><Day>01</Day></DateRevised><Article PubModel="Electronic"><Journal><ISSN IssnType="Print">2076-3921</ISSN><JournalIssue CitedMedium="Print"><Volume>8</Volume><Issue>9</Issue><PubDate><Year>2019</Year><Month>Sep</Month><Day>03</Day></PubDate></JournalIssue><Title>Antioxidants (Basel, Switzerland)</Title><ISOAbbreviation>Antioxidants (Basel)</ISOAbbreviation></Journal><ArticleTitle>Chrysophanol, Physcion, Hesperidin and Curcumin Modulate the Gene Expression of Pro-Inflammatory Mediators Induced by LPS in HepG2: In Silico and Molecular Studies.</ArticleTitle><ELocationID EIdType="pii" ValidYN="Y">E371</ELocationID><ELocationID EIdType="doi" ValidYN="Y">10.3390/antiox8090371</ELocationID><Abstract><AbstractText>Hepatitis is an inflammatory condition that can develop hepatocellular carcinoma. Traditional medicine has always been the pillar of medical practice. However, it became less compatible with the current understanding of the diseases and the possible treatment. Therefore, in silico tools could be utilized for building the bridge between the legacy of the past and the current medical approaches allowing access to new therapeutic discoveries. In this work, a Chinese traditional medicine database was screened using structure-based virtual screening to identify molecules that could inhibit p38 alpha mitogen-activated protein kinase (MAPK). Out of the identified compounds, four selected compounds: chrysophanol, physcion, curcumin and hesperidin were isolated from their respective sources and their structures were confirmed by spectroscopic methods. These compounds decreased the gene expression of tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6) and interleukin-1beta (IL-1β) in lipopolysaccharide (LPS) induced inflammation in a hepatocellular carcinoma cell line (HepG2) in a dose-dependent manner. The molecular docking study revealed the specificity of these compounds towards p38 MAPK rather than other MAPKs. In conclusion, the molecular and in silico studies suggest that the isolated compounds could be a potential treatment for hepatitis by resolving inflammation controlled by MAPKs, thus limiting the development of further complications and lower side effects.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Selim</LastName><ForeName>Nabil Mohamed</ForeName><Initials>NM</Initials><AffiliationInfo><Affiliation>Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 12613, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Elgazar</LastName><ForeName>Abdullah Abdurrahman</ForeName><Initials>AA</Initials><AffiliationInfo><Affiliation>Department of Pharmacognosy, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Abdel-Hamid</LastName><ForeName>Nabil Mohie</ForeName><Initials>NM</Initials><AffiliationInfo><Affiliation>Department of Biochemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>El-Magd</LastName><ForeName>Mohammed Rizk Abu</ForeName><Initials>MRA</Initials><AffiliationInfo><Affiliation>Department of Anatomy, Faculty of Veterinary Medicine, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Yasri</LastName><ForeName>Aziz</ForeName><Initials>A</Initials><AffiliationInfo><Affiliation>AgroBioSciences Research Division, Mohammed VI Polytechnic University, Lot 660-Hay MoulayRachid, Ben-Guerir 43150, Morocco.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Hefnawy</LastName><ForeName>Hala Mohamed El</ForeName><Initials>HME</Initials><AffiliationInfo><Affiliation>Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 12613, Egypt.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Sobeh</LastName><ForeName>Mansour</ForeName><Initials>M</Initials><AffiliationInfo><Affiliation>AgroBioSciences Research Division, Mohammed VI Polytechnic University, Lot 660-Hay MoulayRachid, Ben-Guerir 43150, Morocco. sobeh@uni-heidelberg.de.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>Institute of Pharmacy and Molecular Biotechnology, Heidelberg University, Im Neuenheimer Feld 364, 69120 Heidelberg, Germany. sobeh@uni-heidelberg.de.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2019</Year><Month>09</Month><Day>03</Day></ArticleDate></Article><MedlineJournalInfo><Country>Switzerland</Country><MedlineTA>Antioxidants (Basel)</MedlineTA><NlmUniqueID>101668981</NlmUniqueID><ISSNLinking>2076-3921</ISSNLinking></MedlineJournalInfo><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">hepatoprotective</Keyword><Keyword MajorTopicYN="N">in silico screening</Keyword><Keyword MajorTopicYN="N">molecular docking</Keyword><Keyword MajorTopicYN="N">p38 MAPK</Keyword><Keyword MajorTopicYN="N">phenolics</Keyword></KeywordList><CoiStatement>The authors declare no conflict of interest.</CoiStatement></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2019</Year><Month>07</Month><Day>26</Day></PubMedPubDate><PubMedPubDate PubStatus="revised"><Year>2019</Year><Month>08</Month><Day>22</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2019</Year><Month>08</Month><Day>30</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2019</Year><Month>9</Month><Day>6</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate 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Nabil Mohamed" sort="Selim, Nabil Mohamed" uniqKey="Selim N" first="Nabil Mohamed" last="Selim">Nabil Mohamed Selim</name></noRegion><name sortKey="Abdel Hamid, Nabil Mohie" sort="Abdel Hamid, Nabil Mohie" uniqKey="Abdel Hamid N" first="Nabil Mohie" last="Abdel-Hamid">Nabil Mohie Abdel-Hamid</name><name sortKey="El Magd, Mohammed Rizk Abu" sort="El Magd, Mohammed Rizk Abu" uniqKey="El Magd M" first="Mohammed Rizk Abu" last="El-Magd">Mohammed Rizk Abu El-Magd</name><name sortKey="Elgazar, Abdullah Abdurrahman" sort="Elgazar, Abdullah Abdurrahman" uniqKey="Elgazar A" first="Abdullah Abdurrahman" last="Elgazar">Abdullah Abdurrahman Elgazar</name><name sortKey="Hefnawy, Hala Mohamed El" sort="Hefnawy, Hala Mohamed El" uniqKey="Hefnawy H" first="Hala Mohamed El" last="Hefnawy">Hala Mohamed El Hefnawy</name></country><country name="Maroc"><noRegion><name sortKey="Yasri, Aziz" sort="Yasri, Aziz" uniqKey="Yasri A" first="Aziz" last="Yasri">Aziz Yasri</name></noRegion><name sortKey="Sobeh, Mansour" sort="Sobeh, Mansour" uniqKey="Sobeh M" first="Mansour" last="Sobeh">Mansour Sobeh</name></country><country name="Allemagne"><region name="Bade-Wurtemberg"><name sortKey="Sobeh, Mansour" sort="Sobeh, Mansour" uniqKey="Sobeh M" first="Mansour" last="Sobeh">Mansour Sobeh</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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