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  1. Article: Insights from the molecular docking analysis of EGFR antagonists.

    Kamal, Mohammad Azhar / M Baeissa, Hanadi / J Hakeem, Israa / S Alazragi, Reem / S Hazzazi, Mohannad / Bakhsh, Tahani / Aslam, Akhmed / Refaat, Bassem / B Khidir, Elshiekh / Juma Alkhenaizi, Kadhem / Alam, Qamre

    Bioinformation

    2023  Volume 19, Issue 3, Page(s) 260–265

    Abstract: Overexpression of the epidermal growth factor receptor (EGFR) has been shown to be a critical factor in tumor development and cancer progression. Although established EGFR inhibitors have been effective in the treatment of cancer, they are associated ... ...

    Abstract Overexpression of the epidermal growth factor receptor (EGFR) has been shown to be a critical factor in tumor development and cancer progression. Although established EGFR inhibitors have been effective in the treatment of cancer, they are associated with several side effects. As a result, there is an urgent need to develop novel EGFR inhibitors that can effectively target the receptor while causing no adverse side effects. Here, the bioactive compounds of
    Language English
    Publishing date 2023-03-31
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630019260
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Molecular docking analysis of KRAS inhibitors for cancer management.

    J Hakeem, Israa / Alsharif, Fatmah Hazza / Aljadani, Majidah / Fahad Alabbas, Ibrahim / Faqihi, Mohammed Saud / Aloufi, Ahmed Hamdan / Almutairi, Wael Abdullah / Akber, Asif Hussain / Alam, Qamre

    Bioinformation

    2023  Volume 19, Issue 4, Page(s) 411–416

    Abstract: The majority of human tumors are characterized by abnormal signaling caused by oncogenic RAS proteins. KRAS is a member of the RAS family and is currently one of the most thoroughly researched targets for cancer treatment due to its prevalence in a ... ...

    Abstract The majority of human tumors are characterized by abnormal signaling caused by oncogenic RAS proteins. KRAS is a member of the RAS family and is currently one of the most thoroughly researched targets for cancer treatment due to its prevalence in a variety of deadly malignancies. Targeting the KRAS protein, which plays a crucial role in regulating cell growth, differentiation, and apoptosis, shows great potential as a strategy for fighting cancer. Herein, in silico screening of 530 natural compounds against KRAS protein was performed. The top-scoring hits, namely ZINC32502206, ZINC98363763, ZINC85645815, and ZINC98364259 displayed a robust affinity towards KRAS as evidenced by their respective binding affinity values of -10.50, -10.01, -9.80, and -9.70 kcal/mol, respectively which were notably higher than that of the control compound AMG 510 (-9.10 kcal/mol). Through virtual screening and visual inspection, it was observed that these hits effectively interacted with the essential residues located within the active site of KRAS. Based on the findings of this study, it can be inferred that these compounds may have the potential to be employed in the treatment of cancer by targeting KRAS.
    Language English
    Publishing date 2023-04-30
    Publishing country Singapore
    Document type Journal Article
    ZDB-ID 2203786-X
    ISSN 0973-2063
    ISSN 0973-2063
    DOI 10.6026/97320630019411
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

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