Articles
Pangal, A.,
Rasool, I.,
Sheikh, K.,
Tambe, P.,
Bhagat, S.,
Azarbayjani, K.,
Phadatare, A.,
Ahmed, K. Publication Date: 2025
Letters in Applied NanoBioScience (22846808)14(2)
Six new hydrazones of 3-acetyldaphnetin were synthesized from 3-acetyldaphnetin (1) with different hydrazides and were tested for anti-proliferative activity against the human breast cancer cell line MCF-7 using an MTT assay. These hydrazones were computationally evaluated for ADMET and drug-likeness studies using online tools. Molecular docking methodology was applied to study the mode of interaction between the estrogen receptor (PDB ID: 3ERT), progesterone receptor (PDB ID: 3G8O), and human epidermal growth factor receptor 2 (HER2) (PDB ID: 3PP0). All the compounds showed promising anti-proliferative activity against the MCF-7 cell line, with IC50 values ranging from 5.76 to 32.45 µM. The ADMET properties of the compound 2c were determined, and this compound had accurate pharmacokinetic profiles. This hydrazone possesses good ADMET properties and showed drug-like properties with a strong affinity towards HER2, evidenced by its high binding energy compared to the other two targets. © 2025 by the authors.
Azarbayjani, K.,
Palod, P.S.,
Bhagwat, S.A.,
Sonawane, A.P.,
Acharya, S.K.,
Kulkarni, A.P.,
Tamhane, V.A. Publication Date: 2025
3 Biotech (2190572X)15(4)
Plant defensins are known for their diverse functional roles in development and stress tolerance. We explored the structural and functional diversity of the defensin gene family in Capsicum annuum (CanDef) genomes (CM334 and UCD10Xv1.1). A total of 63 unique full-length CanDef genes were identified through BLASTn and BLASTp analysis. The CanDefs possessed ~ 46 to 88 amino acids and categorized into four groups based on their length, presence of C-terminal tail and gamma-core region. Their phylogenetic analysis with other plant and invertebrate defensin proteins resulted in seven clades of which 37 CanDefs aligned in the recently diversified clade. Most CanDefs localized to chromosome-7. CanDefs contained functional motifs like gamma thionin, knot domain or scorpion toxin domain. Cis-elements and miRNA target sites related to phytohormone signaling, stress responses and development were enriched in the upstream of CanDefs and indicated diverse biological functions. In silico RNA-seq analysis revealed unique expression of CanDefs in tissues under different stresses. CanDefs varied their gene expression in stress conditions significantly with CanDef20, CanDef45 and CanDef61 being the most prominently expressed. In choice assay, Helicoverpa armigera larvae were attracted towards Nicotiana tabacum leaves expressing CanDefs, whereas their growth reduced in the no-choice assay. In conclusion, the genomic, molecular and functional insights on CanDef diversity highlight their significance in plant development and response to biotic/abiotic stresses. © King Abdulaziz City for Science and Technology 2025.
Publication Date: 2023
Scientific Reports (20452322)13(1)
Lepidopteran insect pest Helicoverpa armigera is one of the most destructive pests of crop plants and several biotechnological approaches are being developed for its control. Plant defensins are small cationic and cysteine-rich peptides that play a role in plant defense. Ingestion of a defensin from Capsicum annuum (CanDef-20) induced a dose-dependent reduction in larval and pupal mass, delayed metamorphosis and also severely reduced fecundity and fertility in H. armigera. To understand the molecular mechanisms of CanDef-20 ingestion-mediated antibiosis in H. armigera larvae, a comparative transcriptomics analysis was carried out. Predominant downregulation of GOs represents serine-type endopeptidases, structural constituents of ribosomes and integral membrane components and differential upregulation of ATP binding, nucleus and translation, while up-regulation of nucleic acid binding represented by transposable elements, were detected. Different isoforms of lipase, serine endopeptidase, glutathione S-transferase, cadherin, alkaline phosphatase and aminopeptidases were found to be upregulated as a compensatory response to CanDef-20 ingestion. In vitro enzyme assays and qPCR analysis of some representative genes associated with vital cellular processes like metamorphosis, food digestion and gut membrane indicated adaptive differential regulations in CanDef-20 fed H. armigera larvae. We conclude that CanDef-20 ingestion affects insect metabolism in a number of ways through its interaction with cell membrane, enzymes, cytoplasmic proteins and triggering transposon mobilization which are linked to growth retardation and adaptive strategies in H. armigera. © 2023, The Author(s).
