7 papers
Predicting Endocrine Disruptors: A Deep Learning QSAR Model for Estrogen Receptor Activity
Belaguppa Manjunath Ashwin Desai, Shreyas Murthy, Bhoomika Sridhar +3
Endocrine-disrupting chemicals (EDCs) threaten human health, ecosystems, and biodiversity by interfering with hormonal signaling pathways conserved across vertebrates. Traditional…
Deep Learning-based QSAR Model for Therapeutic Strategies Targeting SmTGR Protein's Immune Modulating Role in Host-Parasite Interaction
Belaguppa Manjunath Ashwin Desai, Belaguppa Manjunath Anirudh, Kalyani S Biju +2
Schistosomiasis, a neglected tropical disease caused by Schistosoma parasites, remains a major global health challenge. The Schistosoma mansoni thioredoxin glutathione reductase (S…
Quantum Dots as Functional Nanosystems for Enhanced Biomedical Applications
Pronama Biswas, Asmita Saha, Bhoomika Sridhar +2
Quantum dots (QDs) have emerged as promising nanomaterials with unique optical and physical properties, making them highly attractive for various applications in biomedicine. This…
Multi-Ligand Simultaneous Docking Analysis of Moringa Oleifera Phytochemicals Reveals Enhanced BCL-2 Inhibition via Synergistic Action
Asmita Saha, Belaguppa Manjunath Ashwin Desai, Pronama Biswas
Moringa oleifera, known for its medicinal properties, contains bioactive compounds such as polyphenols and flavonoids with diverse therapeutic potentials, including anti-cancer eff…
Prediction of Novel CXCR7 Inhibitors Using QSAR Modeling and Validation via Molecular Docking
Belaguppa Manjunath Ashwin Desai, Merla Sudha, Suvarna Ghosh +1
CXCR7, a G-protein-coupled chemokine receptor, has recently emerged as a key player in cancer progression, particularly in driving angiogenesis and metastasis. Despite its signific…
Computational Analysis using Multi-ligand Simultaneous Docking of Withaferin A and Garcinol Reveals Enhanced BCL-2 and AKT-1 Inhibition
Pronama Biswas, Dishali Mathur, Jinal Dinesh +2
Developing an effective medicine to combat cancer and elusive stem cells is crucial in the current scenario. Withaferin A and Garcinol, important phytoconstituents of Withania somn…