FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4385344892> ?p ?o ?g. }

• W4385344892 endingPage "151" @default.
• W4385344892 startingPage "151" @default.
• W4385344892 abstract "Background: Breast cancer is one of the most common types of cancer among women worldwide, and its metastasis is a significant cause of mortality. Therefore, identifying potential inhibitors of proteins involved in breast cancer metastasis is crucial for developing effective therapies. BUB1 mitotic checkpoint serine/threonine kinase B (BUB1B) is a key regulator of mitotic checkpoint control, which ensures the proper segregation of chromosomes during cell division. Dysregulation of BUB1B has been linked to a variety of human diseases, including breast cancer. Overexpression of BUB1B has been observed in various cancer types, and its inhibition has been shown to induce cancer cell death. Additionally, BUB1B inhibition has been suggested as a potential strategy for overcoming resistance to chemotherapy and radiation therapy. Given the importance of BUB1B in regulating cell division and its potential as a therapeutic target, the development of BUB1B inhibitors has been the focus of intense research efforts. Despite these efforts, few small molecule inhibitors of BUB1B have been identified, highlighting the need for further research in this area. In this study, the authors aimed to identify potential inhibitors of BUB1B from mushroom bioactive compounds using computational methods, which could ultimately lead to the development of new treatments for breast cancer metastasis. Methods: This study has incorporated 70 bioactive compounds (handpicked through literature mining) of distinct mushrooms that were considered and explored to identify a suitable drug candidate. Their absorption, distribution, metabolism and excretion (ADME) properties were obtained to predict the drug-likeness of these 70 mushroom compounds based on Lipinski’s rule of 5 (RO5). Screening these bioactive compounds and subsequent molecular docking against BUB1B provided compounds with the best conformation-based binding affinity. The best two complexes, i.e., BUB1B-lepitaprocerin D and BUB1B-peptidoglycan, were subjected to molecular dynamic simulations. Both complexes were assessed for their affinity, stability, and flexibility in protein-ligand complex systems. Results: The molecular dynamic (MD) simulation studies revealed that lepitaprocerin D has an energetically favorable binding affinity with BUB1B. Results showed that the formation of a hydrogen bond between residues ASN123 and SER157, and lepitaprocerin D had strengthened the affinity of lepitaprocerin D with BUB1B. Conclusions: This study identified lepitaprocerin D as a potential and novel inhibitor for BUB1B that could be a plausible drug candidate for identifying and controlling the spread of breast cancer metastasis." @default.
• W4385344892 created "2023-07-29" @default.
• W4385344892 creator A5015887346 @default.
• W4385344892 creator A5039903946 @default.
• W4385344892 creator A5044076593 @default.
• W4385344892 creator A5048812724 @default.
• W4385344892 creator A5061391435 @default.
• W4385344892 creator A5077825028 @default.
• W4385344892 date "2023-07-27" @default.
• W4385344892 modified "2023-10-14" @default.
• W4385344892 title "In Silico Insight to Identify Potential Inhibitors of BUB1B from Mushroom Bioactive Compounds to Prevent Breast Cancer Metastasis" @default.
• W4385344892 doi "https://doi.org/10.31083/j.fbl2807151" @default.
• W4385344892 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37525917" @default.
• W4385344892 hasPublicationYear "2023" @default.
• W4385344892 type Work @default.
• W4385344892 citedByCount "0" @default.
• W4385344892 crossrefType "journal-article" @default.
• W4385344892 hasAuthorship W4385344892A5015887346 @default.
• W4385344892 hasAuthorship W4385344892A5039903946 @default.
• W4385344892 hasAuthorship W4385344892A5044076593 @default.
• W4385344892 hasAuthorship W4385344892A5048812724 @default.
• W4385344892 hasAuthorship W4385344892A5061391435 @default.
• W4385344892 hasAuthorship W4385344892A5077825028 @default.
• W4385344892 hasBestOaLocation W43853448921 @default.
• W4385344892 hasConcept C104317684 @default.
• W4385344892 hasConcept C121608353 @default.
• W4385344892 hasConcept C126322002 @default.
• W4385344892 hasConcept C2775905019 @default.
• W4385344892 hasConcept C2779013556 @default.
• W4385344892 hasConcept C502942594 @default.
• W4385344892 hasConcept C530470458 @default.
• W4385344892 hasConcept C55493867 @default.
• W4385344892 hasConcept C71924100 @default.
• W4385344892 hasConcept C86803240 @default.
• W4385344892 hasConcept C98274493 @default.
• W4385344892 hasConceptScore W4385344892C104317684 @default.
• W4385344892 hasConceptScore W4385344892C121608353 @default.
• W4385344892 hasConceptScore W4385344892C126322002 @default.
• W4385344892 hasConceptScore W4385344892C2775905019 @default.
• W4385344892 hasConceptScore W4385344892C2779013556 @default.
• W4385344892 hasConceptScore W4385344892C502942594 @default.
• W4385344892 hasConceptScore W4385344892C530470458 @default.
• W4385344892 hasConceptScore W4385344892C55493867 @default.
• W4385344892 hasConceptScore W4385344892C71924100 @default.
• W4385344892 hasConceptScore W4385344892C86803240 @default.
• W4385344892 hasConceptScore W4385344892C98274493 @default.
• W4385344892 hasIssue "7" @default.
• W4385344892 hasLocation W43853448921 @default.
• W4385344892 hasLocation W43853448922 @default.
• W4385344892 hasLocation W43853448923 @default.
• W4385344892 hasOpenAccess W4385344892 @default.
• W4385344892 hasPrimaryLocation W43853448921 @default.
• W4385344892 hasRelatedWork W1499339123 @default.
• W4385344892 hasRelatedWork W1987193262 @default.
• W4385344892 hasRelatedWork W2134945055 @default.
• W4385344892 hasRelatedWork W2358585742 @default.
• W4385344892 hasRelatedWork W2774106240 @default.
• W4385344892 hasRelatedWork W2904294837 @default.
• W4385344892 hasRelatedWork W3173207637 @default.
• W4385344892 hasRelatedWork W3180129935 @default.
• W4385344892 hasRelatedWork W3196332669 @default.
• W4385344892 hasRelatedWork W4304116770 @default.
• W4385344892 hasVolume "28" @default.
• W4385344892 isParatext "false" @default.
• W4385344892 isRetracted "false" @default.
• W4385344892 workType "article" @default.