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  1. Article ; Online: Curcumin-Synthetic Analogs Library Screening by Docking and Quantitative Structure-Activity Relationship Studies for AXL Tyrosine Kinase Inhibition in Cancers.

    Ghrifi, Fatima / Allam, Loubna / Wiame, Lakhlili / Ibrahimi, Azeddine

    Journal of computational biology : a journal of computational molecular cell biology

    2019  Volume 26, Issue 10, Page(s) 1156–1167

    Abstract: AXL is an important drug target for cancers. Two-dimensional quantitative structure-activity relationship (2D-QSAR) tests were performed to elucidate a relationship between molecular structures and the activity of a series of 400 curcumin derivatives ... ...

    Abstract AXL is an important drug target for cancers. Two-dimensional quantitative structure-activity relationship (2D-QSAR) tests were performed to elucidate a relationship between molecular structures and the activity of a series of 400 curcumin derivatives subjected to AXL kinase by ATP competition in the catalytic site. The partial least square regression method implanted in molecular operating environment software was applied to develop QSAR models, which were further validated for statistical significance by internal and external validation. The best model has proven to be statistically robust with a good predictive correlation of
    MeSH term(s) Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Curcumin/analogs & derivatives ; Curcumin/pharmacology ; Humans ; Molecular Docking Simulation ; Neoplasms/drug therapy ; Neoplasms/enzymology ; Protein Kinase Inhibitors/chemistry ; Protein Kinase Inhibitors/pharmacology ; Proto-Oncogene Proteins/antagonists & inhibitors ; Proto-Oncogene Proteins/metabolism ; Quantitative Structure-Activity Relationship ; Receptor Protein-Tyrosine Kinases/antagonists & inhibitors ; Receptor Protein-Tyrosine Kinases/metabolism
    Chemical Substances Antineoplastic Agents ; Protein Kinase Inhibitors ; Proto-Oncogene Proteins ; Receptor Protein-Tyrosine Kinases (EC 2.7.10.1) ; axl receptor tyrosine kinase (EC 2.7.10.1) ; Curcumin (IT942ZTH98)
    Language English
    Publishing date 2019-06-24
    Publishing country United States
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 2030900-4
    ISSN 1557-8666 ; 1066-5277
    ISSN (online) 1557-8666
    ISSN 1066-5277
    DOI 10.1089/cmb.2019.0052
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Computational Analysis of

    Bendahou, Mohammed Amine / Arrouchi, Housna / Lakhlili, Wiame / Allam, Loubna / Aanniz, Tarik / Cherradi, Nadia / Ibrahimi, Azeddine / Boutarbouch, Mahjouba

    Cancer informatics

    2020  Volume 19, Page(s) 1176935120915839

    Abstract: Introduction: The emergence of new omics approaches, such as genomic algorithms to identify tumor mutations and molecular modeling tools to predict the three-dimensional structure of proteins, has facilitated the understanding of the dynamic mechanisms ... ...

    Abstract Introduction: The emergence of new omics approaches, such as genomic algorithms to identify tumor mutations and molecular modeling tools to predict the three-dimensional structure of proteins, has facilitated the understanding of the dynamic mechanisms involved in the pathogenesis of low-grade gliomas including oligodendrogliomas and astrocytomas.
    Methods: In this study, we targeted known mutations involved in low-grade gliomas, starting with the sequencing of genomic regions encompassing exon 4 of isocitrate dehydrogenase 1 (
    Results: We obtain a mutation that has an effect on the catalytic site of the protein
    Conclusion: In low-grade gliomas, mutations in
    Language English
    Publishing date 2020-04-15
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2202739-7
    ISSN 1176-9351
    ISSN 1176-9351
    DOI 10.1177/1176935120915839
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Molecular screening and docking analysis of LMTK3and AKT1 combined inhibitors.

    Allam, Loubna / Fatima, Ghrifi / Wiame, Lakhlili / Hamid, El Amri / Azeddine, Ibrahim

    Bioinformation

    2018  Volume 14, Issue 9, Page(s) 499–503

    Abstract: The abnormal activation of AKT/mTOR signaling pathway and overexpression of LMTK3, are the main factors involved in the generation of drug resistance. Therefore, the use of computer-aided drug design in the inhibitors discovery offers an advantage to ... ...

    Abstract The abnormal activation of AKT/mTOR signaling pathway and overexpression of LMTK3, are the main factors involved in the generation of drug resistance. Therefore, the use of computer-aided drug design in the inhibitors discovery offers an advantage to provide new candidates for the treatment of this resistance. We realised the virtual screening and molecular docking of AKT1 and LMTK3 proteins by the Dockblaster server. In addition, with abundance of candidates under development for AKT1 kinase, we have also conducted a Quantitative Structure-Activity Relationship (QSAR) study based on these compounds, in order to design more active compounds and predict their activity for development of a new inhibitor of AKT1. QSAR tests were performed for AKT1 using the Partial Least Squares method with a correlation coefficient of R2=0.8062 and a cross-validation of q2=0.6995. This test has selected five compounds as competitive inhibitors-AKT1-ATP with a better biological activities. In parallel the molecular screening has selected five other compounds as competitive ATP-inhibitors of LMTK3. One of them is a common inhibitor with AKT1, and it is marketed as a moderate to severe pain therapy. The ADME predictions confirmed the inhibitors pharmacological activity of these compounds for potential consideration as drug candidates.
    Language English
    Publishing date 2018-12-09
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630014499
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Preclinical and Clinical Antioxidant Effects of Natural Compounds against Oxidative Stress-Induced Epigenetic Instability in Tumor Cells.

    Bouyahya, Abdelhakim / El Menyiy, Naoual / Oumeslakht, Loubna / El Allam, Aicha / Balahbib, Abdelaali / Rauf, Abdur / Muhammad, Naveed / Kuznetsova, Elena / Derkho, Marina / Thiruvengadam, Muthu / Shariati, Mohammad Ali / El Omari, Nasreddine

    Antioxidants (Basel, Switzerland)

    2021  Volume 10, Issue 10

    Abstract: ROS (reactive oxygen species) are produced via the noncomplete reduction in molecular oxygen in the mitochondria of higher organisms. The produced ROS are placed in various cell compartments, such as the mitochondria, cytoplasm, and endoplasmic reticulum. ...

    Abstract ROS (reactive oxygen species) are produced via the noncomplete reduction in molecular oxygen in the mitochondria of higher organisms. The produced ROS are placed in various cell compartments, such as the mitochondria, cytoplasm, and endoplasmic reticulum. In general, there is an equilibrium between the synthesis of ROS and their reduction by the natural antioxidant defense system, called the redox system. Therefore, when this balance is upset, the excess ROS production can affect different macromolecules, such as proteins, lipids, nucleic acids, and sugars, which can lead to an electronic imbalance than oxidation of these macromolecules. Recently, it has also been shown that ROS produced at the cellular level can affect different signaling pathways that participate in the stimulation of transcription factors linked to cell proliferation and, consequently, to the carcinogenesis process. Indeed, ROS can activate the pathway of tyrosine kinase, MAP kinase, IKK, NF-KB, phosphoinositol 3 phosphate, and hypoxia-inducible factor (HIF). The activation of these signaling pathways directly contributes to the accelerated proliferation process and, as a result, the appearance of cancer. In addition, the use of antioxidants, especially natural ones, is now a major issue in the approach to cancer prevention. Some natural molecules, especially phytochemicals isolated from medicinal plants, have now shown interesting preclinical and clinical results.
    Language English
    Publishing date 2021-09-29
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2704216-9
    ISSN 2076-3921
    ISSN 2076-3921
    DOI 10.3390/antiox10101553
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Targeting the GRP78-Dependant SARS-CoV-2 Cell Entry by Peptides and Small Molecules

    Allam, Loubna Ghrifi Fatima Mohammed Hakmi El Hafidi Naima El Jaoudi Rachid El Harti Jaouad Lmimouni Badreddine Belyamani Lahcen Ibrahimi Azeddine

    Bioinformatics & Biology Insights

    Abstract: The global burden of infections and the rapid spread of viral diseases show the need for new approaches in the prevention and development of effective therapies To this end, we aimed to explore novel inhibitor compounds that can stop replication or ... ...

    Abstract The global burden of infections and the rapid spread of viral diseases show the need for new approaches in the prevention and development of effective therapies To this end, we aimed to explore novel inhibitor compounds that can stop replication or decrease the viral load of the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), for which there is currently no approved treatment Besides using the angiotensin-converting enzyme (ACE2) receptor as a main gate, the CoV-2 can bind to the glucose-regulating protein 78 (GRP78) receptor to get into the cells to start an infection Here, we report potential inhibitors comprising small molecules and peptides that could interfere with the interaction of SARS-CoV-2 and its target cells by blocking the recognition of the GRP78 cellular receptor by the viral Spike protein These inhibitors were discovered through an approach of in silico screening of available databases of bioactive peptides and polyphenolic compounds and the analysis of their docking modes This process led to the selection of 9 compounds with optimal binding affinities to the target sites The peptides (satpdb18674, satpdb18446, satpdb12488, satpdb14438, and satpdb28899) act on regions III and IV of the viral Spike protein and on its binding sites in GRP78 However, 4 polyphenols such as epigallocatechin gallate (EGCG), homoeriodictyol, isorhamnetin, and curcumin interact, in addition to the Spike protein and its binding sites in GRP78, with the ATPase domain of GRP78 Our work demonstrates that there are at least 2 approaches to block the spread of SARS-CoV-2 by preventing its fusion with the host cells via GRP78 [ABSTRACT FROM AUTHOR] Copyright of Bioinformatics & Biology Insights is the property of Sage Publications Inc and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission However, users may print, download, or email articles for individual use This abstract may be abridged No warranty is given about the accuracy of the copy Users should refer to the original published version of the material for the full abstract (Copyright applies to all Abstracts )
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #892352
    Database COVID19

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  6. Article: Significant Association of Polymorphisms in the TCF7L2 Gene with a Higher Risk of Type 2 Diabetes in a Moroccan Population.

    Elhourch, Sarah / Arrouchi, Housna / Mekkaoui, Nour / Allou, Younes / Ghrifi, Fatima / Allam, Loubna / Elhafidi, Naima / Belyamani, Lahcen / Ibrahimi, Azeddine / Elomri, Naoual / Eljaoudi, Rachid

    Journal of personalized medicine

    2021  Volume 11, Issue 6

    Abstract: Background and aims: Several studies have shown that genetic polymorphisms of the transcription factor 7-like 2 (TCF7L2) are highly associated with the development of type 2 diabetes mellitus (T2DM) and its associated complications in several ... ...

    Abstract Background and aims: Several studies have shown that genetic polymorphisms of the transcription factor 7-like 2 (TCF7L2) are highly associated with the development of type 2 diabetes mellitus (T2DM) and its associated complications in several populations. The aim of our study was to investigate the association of the rs7903146 (C/T) and rs12255372 (G/T) polymorphism in the TCF7L2 gene with the risk of developing T2DM in the Moroccan population.
    Material and methods: A total of 150 T2DM patients and 100 healthy controls were recruited for various anthropometric, biochemical and genetic parameters. Genotyping was performed by using Real Time-PCR. The frequency of genotypes, alleles, anthropometric measures, glycemia, glycated hemoglobin (HbA1c) were evaluated in patients and control, while lipid profile was available only for T2DM group.
    Results: Glycemia, HbA1c and body mass index (BMI) were significantly higher in T2DM group than control. Analysis of the distribution of the TCF7L2 rs7903146 genotype and allele revealed that the TT genotype was more frequent in T2DM group (24.0%) than in healthy controls (5%) (OR = 4.08, 95% confidence interval (CI = 1.95-11.80,
    Conclusion: The present study confirmed a significant association of the TCF7L2 gene (rs7903146 (C/T) and rs12255372 (G/T) polymorphisms with a higher risk to T2DM in the Moroccan population. No significant difference in respect to anthropometric and metabolic parameters between different genotypes.
    Language English
    Publishing date 2021-05-24
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2662248-8
    ISSN 2075-4426
    ISSN 2075-4426
    DOI 10.3390/jpm11060461
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Significant Association of Polymorphisms in the TCF7L2 Gene with a Higher Risk of Type 2 Diabetes in a Moroccan Population

    Sarah Elhourch / Housna Arrouchi / Nour Mekkaoui / Younes Allou / Fatima Ghrifi / Loubna Allam / Naima Elhafidi / Lahcen Belyamani / Azeddine Ibrahimi / Naoual Elomri / Rachid Eljaoudi

    Journal of Personalized Medicine, Vol 11, Iss 461, p

    2021  Volume 461

    Abstract: Background and aims: Several studies have shown that genetic polymorphisms of the transcription factor 7-like 2 (TCF7L2) are highly associated with the development of type 2 diabetes mellitus (T2DM) and its associated complications in several populations. ...

    Abstract Background and aims: Several studies have shown that genetic polymorphisms of the transcription factor 7-like 2 (TCF7L2) are highly associated with the development of type 2 diabetes mellitus (T2DM) and its associated complications in several populations. The aim of our study was to investigate the association of the rs7903146 (C/T) and rs12255372 (G/T) polymorphism in the TCF7L2 gene with the risk of developing T2DM in the Moroccan population. Material and methods: A total of 150 T2DM patients and 100 healthy controls were recruited for various anthropometric, biochemical and genetic parameters. Genotyping was performed by using Real Time-PCR. The frequency of genotypes, alleles, anthropometric measures, glycemia, glycated hemoglobin (HbA1c) were evaluated in patients and control, while lipid profile was available only for T2DM group. Results: Glycemia, HbA1c and body mass index (BMI) were significantly higher in T2DM group than control. Analysis of the distribution of the TCF7L2 rs7903146 genotype and allele revealed that the TT genotype was more frequent in T2DM group (24.0%) than in healthy controls (5%) (OR = 4.08, 95% confidence interval (CI = 1.95–11.80, p < 0.0001). The T allele was more frequent in diabetic patients (45.2%) than healthy control (34.5%) and it was associated with high risk of diabetes (OR = 2.13, 95% CI = 1.12–7.31, p = 0.005). The same results were found regarding rs12255372, TT genotype frequencies were 18,7% and 6.0% in T2DM and control group, respectively (OR = 3.11, 95% CI = 1.33–7.24, p = 0.004). The T allele was over-presented in diabetics compared to controls (45.3% and 38.0%, respectively) and increases the risk of T2DM (OR = 2.01, 95% CI = 1.04–3.10, p = 0.01). However, there was no significant difference between the three genotypes of rs7903146 and rs12255372 regarding age, BMI, glycemia, HbA1c and lipid profile. Conclusion: The present study confirmed a significant association of the TCF7L2 gene (rs7903146 (C/T) and rs12255372 (G/T) polymorphisms with a higher risk to T2DM ...
    Keywords type 2 diabetes ; genetic association ; transcription factor 7-like 2 (TCF7L2) ; polymorphism ; rs7903146(C/T) ; rs12255372(G/T) ; Medicine ; R
    Subject code 616
    Language English
    Publishing date 2021-05-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article: Preclinical and Clinical Antioxidant Effects of Natural Compounds against Oxidative Stress-Induced Epigenetic Instability in Tumor Cells

    Bouyahya, Abdelhakim / El Menyiy, Naoual / Oumeslakht, Loubna / El Allam, Aicha / Balahbib, Abdelaali / Rauf, Abdur / Muhammad, Naveed / Kuznetsova, Elena / Derkho, Marina / Thiruvengadam, Muthu / Shariati, Mohammad Ali / El Omari, Nasreddine

    Antioxidants. 2021 Sept. 29, v. 10, no. 10

    2021  

    Abstract: ROS (reactive oxygen species) are produced via the noncomplete reduction in molecular oxygen in the mitochondria of higher organisms. The produced ROS are placed in various cell compartments, such as the mitochondria, cytoplasm, and endoplasmic reticulum. ...

    Abstract ROS (reactive oxygen species) are produced via the noncomplete reduction in molecular oxygen in the mitochondria of higher organisms. The produced ROS are placed in various cell compartments, such as the mitochondria, cytoplasm, and endoplasmic reticulum. In general, there is an equilibrium between the synthesis of ROS and their reduction by the natural antioxidant defense system, called the redox system. Therefore, when this balance is upset, the excess ROS production can affect different macromolecules, such as proteins, lipids, nucleic acids, and sugars, which can lead to an electronic imbalance than oxidation of these macromolecules. Recently, it has also been shown that ROS produced at the cellular level can affect different signaling pathways that participate in the stimulation of transcription factors linked to cell proliferation and, consequently, to the carcinogenesis process. Indeed, ROS can activate the pathway of tyrosine kinase, MAP kinase, IKK, NF-KB, phosphoinositol 3 phosphate, and hypoxia-inducible factor (HIF). The activation of these signaling pathways directly contributes to the accelerated proliferation process and, as a result, the appearance of cancer. In addition, the use of antioxidants, especially natural ones, is now a major issue in the approach to cancer prevention. Some natural molecules, especially phytochemicals isolated from medicinal plants, have now shown interesting preclinical and clinical results.
    Keywords antioxidant activity ; carcinogenesis ; cell proliferation ; endoplasmic reticulum ; epigenetics ; mitochondria ; mitogen-activated protein kinase ; neoplasms ; oxidation ; oxygen ; phosphates ; phytochemicals ; reactive oxygen species ; transcription factor NF-kappa B ; tyrosine
    Language English
    Dates of publication 2021-0929
    Publishing place Multidisciplinary Digital Publishing Institute
    Document type Article
    ZDB-ID 2704216-9
    ISSN 2076-3921
    ISSN 2076-3921
    DOI 10.3390/antiox10101553
    Database NAL-Catalogue (AGRICOLA)

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  9. Article ; Online: AKT1 Polymorphism (rs10138227) and Risk of Colorectal Cancer in Moroccan Population: A Case Control Study.

    Allam, Loubna / Arrouchi, Housna / Ghrifi, Fatima / El Khazraji, Abdelhak / Kandoussi, Ilham / Bendahou, Mohammed Amine / El Amri, Hamid / El Absi, Mohamed / Ibrahimi, Azeddine

    Asian Pacific journal of cancer prevention : APJCP

    2020  Volume 21, Issue 11, Page(s) 3165–3170

    Abstract: Background: LMTK3 and AKT1 each have a role in carcinogenesis and tumor progression. The analysis of single nucleotide polymorphisms of AKT1 and LMTK3 could lead to more complete and accurate risk estimates for colorectal cancer.: Aim: We evaluated ... ...

    Abstract Background: LMTK3 and AKT1 each have a role in carcinogenesis and tumor progression. The analysis of single nucleotide polymorphisms of AKT1 and LMTK3 could lead to more complete and accurate risk estimates for colorectal cancer.
    Aim: We evaluated the association between single nucleotide polymorphisms (SNPs) of AKT1 and LMTK3 and the risk of colorectal cancer in a case-control study in Moroccan population.
    Methods: Genomic DNA from 70 colorectal cancer patients and 50 healthy control subjects was extracted from whole blood. Genotyping was performed by direct sequencing after polymerase chain reactions for the 7 SNPs (AKT1rs1130214G/T, AKT1rs10138227C/T, AKT1rs3730358C/T, AKT1rs1000559097G/A, AKT1rs2494737A/T, LMTK3rs8108419G/A, and LMTK3rs9989661A/G.). Study subjects provided detailed information during the collection. All P values come from bilateral tests.
    Results: In the logistic regression analysis, a significantly high risk of colorectal cancer was associated with TC/TT genotypes of rs10138227 with adjusted odds ratio [OR] equal to 2.82 and 95% confidence interval [CI] of 1.15 to 6.91.
    Conclusion: Our results suggest that the SNP AKT1rs10138227 could affect susceptibility to CRC, probably by modulating the transcriptional activity of AKT1. However, larger independent studies are needed to validate our results.
    MeSH term(s) Biomarkers, Tumor/genetics ; Case-Control Studies ; Colorectal Neoplasms/epidemiology ; Colorectal Neoplasms/genetics ; Colorectal Neoplasms/pathology ; Female ; Follow-Up Studies ; Genetic Predisposition to Disease ; Genotype ; Humans ; Male ; Middle Aged ; Morocco/epidemiology ; Polymorphism, Single Nucleotide ; Prognosis ; Proto-Oncogene Proteins c-akt/genetics ; Risk Factors
    Chemical Substances Biomarkers, Tumor ; AKT1 protein, human (EC 2.7.11.1) ; Proto-Oncogene Proteins c-akt (EC 2.7.11.1)
    Language English
    Publishing date 2020-11-01
    Publishing country Thailand
    Document type Journal Article
    ZDB-ID 2218955-5
    ISSN 2476-762X ; 1513-7368
    ISSN (online) 2476-762X
    ISSN 1513-7368
    DOI 10.31557/APJCP.2020.21.11.3165
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: Targeting the GRP78-Dependant SARS-CoV-2 Cell Entry by Peptides and Small Molecules.

    Allam, Loubna / Ghrifi, Fatima / Mohammed, Hakmi / El Hafidi, Naima / El Jaoudi, Rachid / El Harti, Jaouad / Lmimouni, Badreddine / Belyamani, Lahcen / Ibrahimi, Azeddine

    Bioinformatics and biology insights

    2020  Volume 14, Page(s) 1177932220965505

    Abstract: The global burden of infections and the rapid spread of viral diseases show the need for new approaches in the prevention and development of effective therapies. To this end, we aimed to explore novel inhibitor compounds that can stop replication or ... ...

    Abstract The global burden of infections and the rapid spread of viral diseases show the need for new approaches in the prevention and development of effective therapies. To this end, we aimed to explore novel inhibitor compounds that can stop replication or decrease the viral load of the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), for which there is currently no approved treatment. Besides using the angiotensin-converting enzyme (ACE2) receptor as a main gate, the CoV-2 can bind to the glucose-regulating protein 78 (GRP78) receptor to get into the cells to start an infection. Here, we report potential inhibitors comprising small molecules and peptides that could interfere with the interaction of SARS-CoV-2 and its target cells by blocking the recognition of the GRP78 cellular receptor by the viral Spike protein. These inhibitors were discovered through an approach of in silico screening of available databases of bioactive peptides and polyphenolic compounds and the analysis of their docking modes. This process led to the selection of 9 compounds with optimal binding affinities to the target sites. The peptides (satpdb18674, satpdb18446, satpdb12488, satpdb14438, and satpdb28899) act on regions III and IV of the viral Spike protein and on its binding sites in GRP78. However, 4 polyphenols such as epigallocatechin gallate (EGCG), homoeriodictyol, isorhamnetin, and curcumin interact, in addition to the Spike protein and its binding sites in GRP78, with the ATPase domain of GRP78. Our work demonstrates that there are at least 2 approaches to block the spread of SARS-CoV-2 by preventing its fusion with the host cells via GRP78.
    Keywords covid19
    Language English
    Publishing date 2020-10-21
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2423808-9
    ISSN 1177-9322
    ISSN 1177-9322
    DOI 10.1177/1177932220965505
    Database MEDical Literature Analysis and Retrieval System OnLINE

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