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Exploring the Potential of Plumbagin as an Activator of Caspase 3 for Non-small Cell Lung Carcinoma: A Comprehensive in silico Study (Record no. 131236)
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| fixed length control field | 02137nam a22001337a 4500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
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| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Mohd Saeed |
| 245 ## - TITLE STATEMENT | |
| Title | Exploring the Potential of Plumbagin as an Activator of Caspase 3 for Non-small Cell Lung Carcinoma: A Comprehensive in silico Study |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | pg.526-534 |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. biblio.abstract | Caspase-3 regulates apoptosis, and its deregulation in Non-Small Cell-Lung Carcinoma (NSCLC), and contributes to tumour growth and therapeutic resistance. Significant resistance to chemotherapy and radiation therapy, which are two frequently used treatment modalities for lung cancer, is linked to the decreased activity of caspase-3 in NSCLC. Preclinical and early clinical investigations, for example, have shown potential for targeting specific biochemical pathways involved in caspase-3 regulation, such as the Bcl-2 family of proteins or the Inhibitor of Apoptosis Proteins (IAPs). However, this study investigates the activation potential of plumbagin, a potential naphthoquinone, towards Caspase-3, which in turn targets the progression of NSCLC. The potential of naphthoquinones has already been explored and experimentally validated by several researchers in cancer-targeted drug discovery-based studies. This study focuses on exploring the physicochemical and ADMET properties of plumbagin prior to molecular docking. This renders the binding energy of the plumbagin-caspase-3 docked complex at -10.13 kcal/ mol. Further, MD simulations validated the potential of Plumbagin to serve as a promising target for drug discovery against caspase-3 by analysing the computed trajectories. Given that naphthoquinones are preferred drug candidates, discovering natural chemicals that act as caspase-3 activator is a key step towards developing viable drugs for NSCLC. |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Non-Small Cell-Lung Cancer (NSCLC) |
| -- | Caspase-3, |
| -- | Plumbagin, |
| -- | BOILED EGG Plot analysis, |
| -- | ADMET/Tox, |
| -- | Molecular docking, |
| -- | MD simulation. |
| 773 0# - HOST ITEM ENTRY | |
| Host Biblionumber | 125266 |
| Host Itemnumber | 109790 |
| Place, publisher, and date of publication | Banglore Association of Pharmaceutical Tearchers of India |
| Title | Indian Journal of Pharmaceutical Education and Research |
| International Standard Serial Number | 0019-5464 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | Journal Article |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Location (home branch) | Sublocation or collection (holding branch) | Date acquired | Koha issues (times borrowed) | Piece designation (barcode) | Koha date last seen | Price effective from | Koha item type |
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| Dewey Decimal Classification | SNDT Juhu | SNDT Juhu | 28/02/2025 | jp225.21 | 28/02/2025 | 28/02/2025 | Journal Article |