Benzothiazole derivatives as p53-MDM2 inhibitors: <i>in-silico</i> design, ADMET predictions, molecular docking, MM-GBSA Assay, MD simulations studies-Reference-Cited by-同舟云学术

Benzothiazole derivatives as p53-MDM2 inhibitors: in-silico design, ADMET predictions, molecular docking, MM-GBSA Assay, MD simulations studies

Published:2023-12-18 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

N Shridhar Deshpande¹^ORCID,Shivakumar ²,Kumar D. Udaya²,Ghate Sudeep D.³,Dixit Sheshagiri R.⁴,Awasthi Abhimanyu⁴,Revanasiddappa B. C.¹^ORCID

Affiliation:

1. Department of Pharmaceutical Chemistry, NGSM Institute of Pharmaceutical Sciences (NGSMIPS), Nitte (Deemed to be University), Mangalore, Karnataka, India

2. Department of Chemistry, National Institute of Technology Karnataka, Mangalore, Karnataka, India

3. Center for Bioinformatics, Nitte (Deemed to be University), Deralakatte, Karnataka, India

4. Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education and Research, Karnataka, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2294836

Reference25 articles.

1. Benzothiazole Derivatives Endowed with Antiproliferative Activity in Paraganglioma and Pancreatic Cancer Cells: Structure–Activity Relationship Studies and Target Prediction Analysis

2. MDM2 is a Potential Target Gene of Glycyrrhizic Acid for Circumventing Breast Cancer Resistance to Tamoxifen: Integrative Bioinformatics Analysis

3. Computational Evaluation of Bioactive Compounds from Colocasia affinis Schott as a Novel EGFR Inhibitor for Cancer Treatment

4. Riluzole: A neuroprotective drug with potential as a novel anti‑cancer agent (Review)

5. Radiation-Induced Gene Expression Changes in High and Low Grade Breast Cancer Cell Types

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