Assessing the Anticancer Potential of Compounds from Caesalpinia sappan Wood against Mutant EGFR in Lung Squamous Cell Carcinoma: Computational Insights DOI Creative Commons

Shaik Pashmina,

Nitya Krishnasamy,

Suganya Panneer Selvam

и другие.

Journal of Pharmacology and Pharmacotherapeutics, Год журнала: 2024, Номер unknown

Опубликована: Дек. 20, 2024

Background Lung squamous cell carcinoma (LUSC), a subtype of non-small lung cancer (NSCLC), frequently harbors mutations in the epidermal growth factor receptor (EGFR), which regulates proliferation and survival. This makes EGFR an attractive therapeutic target for LUSC. Advances computational drug discovery have facilitated identification natural compounds with anticancer potential. Caesalpinia sappan, medicinal plant known properties, contains bioactive phytochemicals that may exhibit effects. Purpose The purpose study is to assess potential from C. sappan against mutant LUSC through approach, including molecular docking biological activity prediction. Methods Thirty were retrieved Indian Medicinal Plants, Phytochemistry, Therapeutics (IMPPAT) database. Drug-likeness was assessed using Lipinski’s rule five, ADMET properties evaluated SwissADME web server. Compounds permeable blood-brain barrier (BBB) excluded mitigate central nervous system (CNS)-related side effects, resulting selection 10 PyRx software. Docking scores compared doxorubicin, standard drug. Biological prediction performed PASS Results Of 30 screened, 24 adhered 14 due BBB permeability. Molecular revealed nine had significant binding affinity toward EGFR, energies comparable doxorubicin. Among these, norvaline exhibited lowest (–4.8 kcal/mol). indicated eight lead displayed antineoplastic activity, oleic acid being exception. Conclusion identified several inhibit exclusion BBB-permeant enhances clinical relevance these findings by minimizing CNS-related These results underscore promise as alternative agents targeting warrant further vitro vivo validation.

Язык: Английский

Multifunctional Bioactivity of the [Cu(en)(Im)2](ClO4)2 Complex: Antimicrobial, Antibiofilm, and Anticancer Effects DOI Creative Commons

K. G. Parthiban,

Ganeshraja Ayyakannu Sundaram,

Dhanraj Ganapathy

и другие.

The Microbe, Год журнала: 2025, Номер unknown, С. 100307 - 100307

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0
Cardiotocography data analysis for foetal health classification using Spatial Bayesian Neural Network Optimized with Dwarf Mongoose Optimizer DOI

P. Solainayagi,

G. Sivagaminathan,

Sabenabanu Abdulkadhar

и другие.

Computer Methods in Biomechanics & Biomedical Engineering, Год журнала: 2025, Номер unknown, С. 1 - 15

Опубликована: Апрель 10, 2025

Pregnancy complications require early detection, but traditional Cardiotocography (CTG) analysis is labor-intensive and error-prone. This manuscript presents Data Analysis for Foetal Health Classification using Spatial Bayesian Neural Network Optimized with Dwarf Mongoose Optimizer (CDA-FHC-SBNN-DMO). The process involves collecting CTG data, optimizing feature selection Humboldt Squid Optimization Algorithm (HSOA) classification (SBNN) to categorize foetal health. (DMO) used optimize SBNN. CDA-FHC-SBNN-DMO method was implemented in Python, outperforms existing methods, achieving improvements of 20.89%, 31.45%, 28.32% accuracy, significant increases precision recall.

Язык: Английский

Процитировано

0
Controllable preparation of TiO2 nanoparticles using deep eutectic solvents and their photocatalytic degradation of dyeing wastewater DOI

Bin Han,

Dianchun Ju, Zhuo Chen

и другие.

Journal of Crystal Growth, Год журнала: 2025, Номер unknown, С. 128104 - 128104

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0
Exploring the Biological Potential of an Innovative Mixed Valence Iron Complex: [Fe(bipy)3][(μ-oxo)Fe2Cl6] in Microbial Inhibition and Anticancer Applications DOI

Joseph Linoj,

Ganeshraja Ayyakannu Sundaram,

Dhanraj Ganapathy

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 141108 - 141108

Опубликована: Дек. 1, 2024

Язык: Английский

Процитировано

0
Assessing the Anticancer Potential of Compounds from Caesalpinia sappan Wood against Mutant EGFR in Lung Squamous Cell Carcinoma: Computational Insights DOI Creative Commons

Shaik Pashmina,

Nitya Krishnasamy,

Suganya Panneer Selvam

и другие.

Journal of Pharmacology and Pharmacotherapeutics, Год журнала: 2024, Номер unknown

Опубликована: Дек. 20, 2024

Background Lung squamous cell carcinoma (LUSC), a subtype of non-small lung cancer (NSCLC), frequently harbors mutations in the epidermal growth factor receptor (EGFR), which regulates proliferation and survival. This makes EGFR an attractive therapeutic target for LUSC. Advances computational drug discovery have facilitated identification natural compounds with anticancer potential. Caesalpinia sappan, medicinal plant known properties, contains bioactive phytochemicals that may exhibit effects. Purpose The purpose study is to assess potential from C. sappan against mutant LUSC through approach, including molecular docking biological activity prediction. Methods Thirty were retrieved Indian Medicinal Plants, Phytochemistry, Therapeutics (IMPPAT) database. Drug-likeness was assessed using Lipinski’s rule five, ADMET properties evaluated SwissADME web server. Compounds permeable blood-brain barrier (BBB) excluded mitigate central nervous system (CNS)-related side effects, resulting selection 10 PyRx software. Docking scores compared doxorubicin, standard drug. Biological prediction performed PASS Results Of 30 screened, 24 adhered 14 due BBB permeability. Molecular revealed nine had significant binding affinity toward EGFR, energies comparable doxorubicin. Among these, norvaline exhibited lowest (–4.8 kcal/mol). indicated eight lead displayed antineoplastic activity, oleic acid being exception. Conclusion identified several inhibit exclusion BBB-permeant enhances clinical relevance these findings by minimizing CNS-related These results underscore promise as alternative agents targeting warrant further vitro vivo validation.

Язык: Английский

Процитировано

0