Dr. Swetha Rayala

Bio

Dr. Rayala Swetha is a medicinal chemist specializing in drug discovery for neurodegenerative diseases, with a particular focus on Alzheimer’s disease. Her research integrates computational design, chemical synthesis, and biological evaluation across enzyme assays, cell-based systems, and animal models to identify and design novel therapeutic molecules.

She has a strong interest in structure–activity relationships (SAR), target validation, and the preclinical and translational aspects of early-stage drug development. Her academic and teaching activities focus on principles of drug discovery, medicinal chemistry, and regulatory perspectives in pharmaceutical sciences.

Her long-term research goals include advancing bioinformatics-driven and structure-based strategies for the invention of new molecules and drug delivery techniques to address complex CNS diseases and cancers.

Research Area

Drug design, discovery against Neurodegenerative disorders.

Computational design, molecular docking, molecular dynamics simulations, QSAR modelling.

AI and ML based screening and design of small molecules.

Synthetic medicinal chemistry, in vitro, in vivo assays, solubility enhancement for poorly soluble drugs

Recent Publications

Ghosh, P., Singh, R., Ganeshpurkar, A., Swetha, R., Kumar, D., Singh, S. K., & Kumar, A. (2023). Identification of potential death-associated protein kinase-1 (DAPK1) inhibitors by an integrated ligand-based and structure-based computational drug design approach. Journal of Biomolecular Structure and Dynamics, 41(20), 10785–10797. https://doi.org/10.1080/07391102.2022.2158935

Singh, R., Ghosh, P., Ganeshpurkar, A., Anand, A., Swetha, R., Singh, R. B., ... & Kumar, A. (2023). Natural‐Language Processing (NLP) based feature extraction technique in Deep‐Learning model to predict the Blood‐Brain‐Barrier permeability of molecules. Molecular Informatics, 42(10), 2200271.

Singh, R., Pokle, A. V., Ghosh, P., Ganeshpurkar, A., Swetha, R., Singh, S. K., & Kumar, A. (2023). Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulations study for the identification of LIM kinase-1 inhibitors. Journal of Biomolecular Structure and Dynamics, 41(13), 6089-6103.

Google Scholar Link
https://scholar.google.com/citations?user=eo135j4AAAAJ&hl=en&oi=ao

Scopus Author ID Link
https://www.scopus.com/authid/detail.uri?authorId=57433483300

Orcid Link
https://orcid.org/0000-0002-4236-2769