Browsing by Author "Aditi Bhatnagar"

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Cadmium sulfide nanoparticles (CdSNPs) modulate key oncogenic pathways in PA1 ovarian cancer cells: Insights from transcriptomic analysis
(Elsevier Ltd, 2025) Aditi Bhatnagar; Abhay Dev Tripathi; Sonali Kumari; Abha Mishra
Transcriptomics has become a useful tool for comparing the levels of gene expression in healthy and malignant cells, holding potential for the discovery of new cancer therapies. This study used RNA-sequencing and transcriptome analysis on the PA1 ovarian cancer cell line to examine the potential of Cadmium Sulfide Nanoparticles (CdSNPs) as a therapeutic agent. A total of 5.42 Gb of high-quality reads was estimated based on the findings of gene expression techniques, comprising 2.25 Gb of treated PA1 cells and 3.17 Gb of control cells. Of these, 1641 genes with padj<0.001 and log2 foldchange >2 were found to be significantly regulated DEGs (differentially expressed genes). Analysis of gene ontology (GO) assays demonstrates the molecular mechanism behind CdSNPs anticancer effects. GO:0006915, GO:0012501, GO:1903561, and GO:0070588 are a few significant highlights of elevated GO (enriched DEGs) that are involved in apoptotic pathways, extracellular vesicles, programmed cell death, and Ca++ signaling. KEGG analysis elucidated that up and downregulated DEGs were enriched in a few pathways: calcium signaling pathway, Apoptosis, and TNF signaling pathway. Important pathways like MAP kinase, JAK/STAT, cAMP, and folate biosynthesis, showed inhibitory effects on ovarian cancer cell proliferation. The results of this work provide insight into possible therapeutic approaches employing CdSNPs and encourage additional research using a variety of cell lines and in vivo models to improve ovarian cancer treatment. © 2025
Discovery of the allosteric inhibitor from actinomyces metabolites to target EGFRCSTMLR mutant protein: molecular modeling and free energy approach
(Nature Research, 2023) Ravi Saini; Sonali Kumari; Aditi Bhatnagar; Amit Singh; Abha Mishra
EGFR (epidermal growth factor receptor), a surface protein on the cell, belongs to the tyrosine kinase family, responsible for cell growth and proliferation. Overexpression or mutation in the EGFR gene leads to various types of cancer, i.e., non-small cell lung cancer, breast, and pancreatic cancer. Bioactive molecules identified in this genre were also an essential source of encouragement for researchers who accomplished the design and synthesis of novel compounds with anticancer properties. World Health Organization (WHO) report states that antibiotic resistance is one of the most severe risks to global well-being, food safety, and development. The world needs to take steps to lessen this danger, such as developing new antibiotics and regulating their use. In this study, 6524 compounds derived from Streptomyces sp. were subjected to drug-likeness filters, molecular docking, and molecular dynamic simulation for 1000 ns to find new triple mutant EGFRCSTMLR (EGFR-L858R/T790M/C797S) inhibitors. Docking outcomes revealed that five compounds showed better binding affinity (− 9.074 to − 9.3 kcal/mol) than both reference drug CH7233163 (− 6.11 kcal/mol) and co-crystallized ligand Osimertinib (− 8.07 kcal/mol). Further, molecular dynamic simulation confirmed that ligand C_42 exhibited the best interaction at the active site of EGFR protein and comprised a better average radius of gyration (3.87 Å) and average SASA (Solvent Accessible Surface Area) (82.91 Å2) value than co-crystallized ligand (4.49 Å, 222.38 Å2). Additionally, its average RMSD (Root Mean Square Deviation) (3.25 Å) and RMSF (Root Mean Square Fluctuation) (1.54 Å) values were highly similar to co-crystallized ligand (3.07 Å, 1.54 Å). Compared to the reference ligand, it also demonstrated conserved H-bond interactions with the residues MET_793 and GLN_791 with strong interaction probability. In conclusion, we have found a potential drug with no violation of the rule of three, Lipinski's rule of five, and 26 other vital parameters having great potential in medicinal and pharmaceutical industries applications and can overcome synthetic drug issues. © 2023, The Author(s).
Green synthesis of nanoparticles by endophytes
(Elsevier, 2022) Abha Mishra; Aditi Bhatnagar
A few years ago, there was limited knowledge about the benefits of endophytes. They were known to help host plants fight their daily biotic and abiotic stresses. Additionally, they acted as natural insecticides, aided in growth, and supplying nutrients to them. At present, endophytes have an all-new dimension added to them, benefiting their hosts and humans simultaneously. Nowadays, endophytes are being used in nanotechnology to build nanomaterials to enhance various existing medicinal and nonmedicinal products. The traditional process of making nanoparticles is exhausting and cost-ineffective, whereas using green chemistry synthesis mechanisms to produce functionally viable nanoparticles is an excellent approach. In this chapter, various approaches for producing different nanoparticles from endophytes are discussed along with their uses. © 2023 Elsevier Inc. All rights reserved.
Mesoporous Silica Nanoparticles for Drug Delivery in Brain Disorders
(CRC Press, 2024) Abhay Dev Tripathi; Aditi Bhatnagar; Soumya Katiyar; Abha Mishra
The blood-brain barrier (BBB), a characteristic component of the central nervous system, effectively shields the brain from numerous blood-borne viruses and pathogens. The discovery of novel drugs for brain cancer and neurodegenerative diseases is hampered by this barrier, which also restricts treatment efficacy. The BBB’s extremely selective nature prevents all large-molecule therapies and over 98% of all small-molecule medicines from reaching the brain. Considering the lack of efficient formulations to treat brain-related disorders, nanotechnology offers various innovative design possibilities for novel therapeutics employing cutting-edge nanostructures for medication delivery. Mesoporous silica nanoparticles (MSNs) are one of the authentic nanocarriers for targeted drug release because of their easy functionalization, high surface area, biocompatibility, and structurally tunable properties that are possible with a low-cost synthesis process. They also stand out among the available nanosystems because they are non-hazardous to biological tissues. This chapter aims to provide an overview of MSN fabrication and the most recent developments regarding MSNs’ prospective use as brain-targeted drug delivery systems and evaluate their capabilities and benefits in overcoming these intriguing biological hurdles. © 2024 selection and editorial matter, Anurag Kumar Singh, Vivek K. Chaturvedi, and Jay Singh; individual chapters, the contributors.