Virtual Screening on Molecules Targeting the Interaction Between Estrogen Receptor Beta and Murine Double Minute 2

نویسندگان

چکیده

Estrogen receptor beta (ERβ) is an isoform of estrogen that plays a role in breast cancer. An E3 ubiquitin ligase, murine double minute 2 (MDM2), can bind to ERβ and degrade it. Virtual screening protein-protein docking studies are one the approaches be performed discover FDA-approved drugs targeting interaction ERβ-MDM2 complex. This study aimed conduct virtual 1615 compounds between as initial potential cancer drugs. Biovia Discovery Studio 2021, ClusPro 2.0, PyRx 8.0, PyMOL software were utilized this study. (PDB ID: 3OLS) MDM2 1T4E) receptors docked obtain protein The ligands used downloaded from ZINC database. PIC PLIP web tools also analyze amino acid residues involved interaction. results showed ergotamine was drug with lowest energy score (-12.0 kcal/mol) among 1057 able establish strongest ERβ-MDM2. In conclusion, based on computational study, strengthens thus could candidate for drug. Thorough validation vitro, biochemical, vivo needed confirm finding.Keywords: beta, cancer, interaction, MDM2.

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The Role of Tumor Protein 53 Mutations in Common Human Cancers and Targeting the Murine Double Minute 2–P53 Interaction for Cancer Therapy

The gene TP53 (also known as protein 53 or tumor protein 53), encoding transcription factor P53, is mutated or deleted in half of human cancers, demonstrating the crucial role of P53 in tumor suppression. There are reports of nearly 250 independent germ line TP53 mutations in over 100 publications. The P53 protein has the structure of a transcription factor and, is made up of several domains. T...

متن کامل

the role of tumor protein 53 mutations in common human cancers and targeting the murine double minute 2–p53 interaction for cancer therapy

the gene tp53 (also known as protein 53 or tumor protein 53), encoding transcription factor p53, is mutated or deleted in half of human cancers, demonstrating the crucial role of p53 in tumor suppression. there are reports of nearly 250 independent germ line tp53 mutations in over 100 publications. the p53 protein has the structure of a transcription factor and, is made up of several domains. t...

متن کامل

Molecular Docking Based on Virtual Screening, Molecular Dynamics and Atoms in Molecules Studies to Identify the Potential Human Epidermal Receptor 2 Intracellular Domain Inhibitors

Human epidermal growth factor receptor 2 (HER2) is a member of the epidermal growth factor receptor family having tyrosine kinase activity. Overexpression of HER2 usually causes malignant transformation of cells and is responsible for the breast cancer. In this work, the virtual screening, molecular docking, quantum mechanics and molecular dynamics methods were employed to study protein–ligand ...

متن کامل

The fate of murine double minute X (MdmX) is dictated by distinct signaling pathways through murine double minute 2 (Mdm2)

Mouse double minute 2 (Mdm2) and MdmX dimerize in response to low levels of genotoxic stress to function in a ubiquitinating complex, which signals for destabilization of p53. Under growth conditions, Mdm2 functions as a neddylating ligase, but the importance and extent of MdmX involvement in this process are largely unknown. Here we show that when Mdm2 functions as a neddylating enzyme, MdmX i...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: ISCC (Indonesian Journal of Cancer Chemoprevention)

سال: 2023

ISSN: ['2088-0197', '2355-8989']

DOI: https://doi.org/10.14499/indonesianjcanchemoprev13iss3pp184-194