Research Articles

Integrated molecular and quantum mechanical approach to identify novel potent natural bioactive compound against 2′-O-methyltransferase (nsp16) of SARS-CoV-2

Authors: Thomas, J., Kumar, S., Satija, J.

Journal: Journal of Biomolecular Structure and Dynamics

Year and Issue: 2023, 42(4), 1999–2012

DOI: 10.1080/07391102.2023.2206287

Extraction, isolation, synthesis, and biological evaluation of novel piperic acid derivatives for the treatment of Alzheimer’s disease

Authors: Kumar, J., Shankar, G., Kumar, S., Thomas, J., Singh, N., Srikrishna, S., Satija, J., Krishnamurthy, S., Modi, G., Mishra, S. K.

Journal: Molecular Diversity

Year and Issue: 2024, 28, 1439–1458

DOI: 10.1007/s11030-023-10667-x

Repurposing the in-house generated Alzheimer’s disease targeting molecules through computational and preliminary in-vitro studies for the management of SARS-coronavirus-2

Authors: Singh, G., Thomas, J., Wadhawa, S., Kashyap, A., Rahaman, S.A., Borkotoky, S., Datta, A., Singh, G.K., Mishra, I., Rai, G., Satija, J., Dubey, V.K., Modi. G.

Journal: Molecular Diversity

Year and Issue: 2024, 28, 2847–2862

DOI: 10.1007/s11030-023-10717-4

Effective gene delivery using size dependant nano core-shell in human cervical cancer cell lines by magnetofection

Authors: Sundara Rajan, R.S., Thomas, J., Francis, D., Daniel, E.C.

Journal: PLOS ONE

Year and Issue: 2023, 18(9): e0289731

DOI: 10.1371/journal.pone.0289731

Cheminformatics approach to identify andrographolide derivatives as dual inhibitors of methyltransferases (nsp14 and nsp16) of SARS-CoV-2

Authors: Thomas, J., Ghosh, A., Ranjan, S., Satija, J.

Journal: Scientific Reports

Year and Issue: 2024, 14, 9801

DOI: 10.1038/s41598-024-58532-7

Cheminformatics and QSAR-Based Identification of Natural Bioactive Compounds as Potent Inhibitors of SARS-CoV-2 N-7 Methyltransferases

Authors: Thomas, J., Satija, J.

Journal: ChemistrySelect

Year and Issue: 2024, 9, e202304932

DOI: 10.1002/slct.202304932

4D printed nanoengineered super bioactive hydrogel scaffold with programmable deformation for potential bifurcated vascular channel construction

Authors: Nain, A., Joshi, A., Debnath, S., Choudhury, S., Thomas, J., Satija, J., Huang, C.C., Chatterjee, K.

Journal: Journal of Materials Chemistry B

Year and Issue: 2024, 12, 7604-7617

DOI: 10.1039/D4TB00498A

Andrographolide Derivative as Therapeutic Lead Against Mutated β-Lactamase Enzyme: An In-Silico Approach to Combat AMR

Authors: Prasad, A., Thomas, J., Bhatt, S., Ghosh, A., Ranjan, S., Satija, J.

Journal: ChemistrySelect

Year and Issue: 2025, 10, e202500559

DOI: 10.1002/slct.202500559

Exploring chalcone derivatives as promising antimicrobials targeting dihydrofolate reductase

Authors: Dutta, J., Thomas, J., Pradhan, S., Jalgham, R., Raj, A., Mandal, S.M., Satija, J., Roymahapatra, G.

Journal: Total Chemistry

Year and Issue: 2025, 1, 100002

DOI: 10.1016/j.totche.2025.100002

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