Dr. Dileep Vijayan

Dr. Dileep Vijayan

Dr. Dileep Vijayan

Head and Scientist D
dileepkvijayan@gmail.com

Dr Dileep Vijayan is a Scientist-D at the Jubilee Centre for Medical Research. With nearly two decades of experience in computational biology, structural biology, and chemical biology, Dr. Dileep Vijayan, PhD, has dedicated his career to advancing drug discovery and translational research for complex human diseases. His expertise spans X-ray crystallography, protein engineering, molecular dynamics, and computer-aided drug design, with applications in neurodegenerative disorders, cancer, epigenetics, and inflammatory diseases. At the Jubilee Centre for Medical Research, Dr. Vijayan integrates multiscale computational approaches with experimental methods to propose lead molecules, unravel protein dynamics, and bridge traditional knowledge systems such as Ayurveda with modern therapeutic strategies. His research has been recognized internationally through prestigious fellowships, including the Takeda Science Foundation (Japan), JSPS Postdoctoral Fellowship (Japan) and the DHR-NRI/PIO/OCI re-entry fellowship (Government of India), and is supported by competitive grants in Alzheimer's disease, uterine fibroids, and Ayurbiology. Beyond research, he mentors doctoral and postdoctoral scholars, contributes to national and international collaborations, and actively works toward translating molecular insights into innovative therapeutic solutions.

  • Computational and Structural Biology
  • Drug Discovery and Therapeutic Design
  • Ayurbiology  
  • M.Sc. Bioinformatics (2005), KSR College of Arts & Science
  • Ph.D. (2008-2014), Kannur University, India
  • Scientist D, Jubilee Centre for Medical Research, Kerala, Nov 2024 - Present
  • Scientist D (NRI/OCI/PIO Fellow), Jubilee Centre for Medical Research, Kerala, Nov 2021-Nov 2024 
  • Scientist D, Jubilee Centre for Medical Research, Kerala, Jun 2021- 2021
  • Research Scientist, RIKEN, Japan, Dec 2018- May 2021
  • Visiting Researcher (JSPS Postdoctoral Fellow), RIKEN, Japan, Nov 2016-Nov 2018 
  • International Postdoctoral Fellow (Takeda Science Foundation), RIKEN, Japan, May 2016- Nov 2016
  • Institute Postdoctoral Fellow, IISER Thiruvananthapuram, Kerala, India, Dec 2014- Apr 2016
  • Junior Scientist, University of Kerala, India, Jul 2014- Dec 2014
  • Senior Research Fellow (ICMR), Kannur University, Kerala, Nov 2011- Jun 2014
  • Research Fellow, Kannur University, I Kerala, Nov 2008- Feb 2014
  • Research Assistant, Kannur University, Kerala, Apr 2008- Sep 2010
  • DHR-NRI/PIO/OCI Re-entry Fellowship (2021-2024), Department of Health Research (DHR), Government of India, for research on non-invasive treatment of uterine fibroids through rationally designed selective progesterone receptor modulators
  • JSPS Postdoctoral Fellowship for Overseas Researchers (2016-2018), Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan, for research on human glutaminyl cyclase inhibitors in Alzheimer's disease
  • International Postdoctoral Fellowship (2016), Takeda Science Foundation, Japan, supporting structural bioinformatics research at RIKEN, Yokohama
  • Institute Postdoctoral Fellowship (2014-2016), Indian Institute of Science Education and Research (IISER), Thiruvananthapuram, Kerala, India
  • Research Fellowship (2011), Indian Council of Medical Research (ICMR), Government of India
  • Recipient of multiple awards for poster and oral presentations

Nil

Ongoing

1) Project Title: Investigating Phenotypic-genotypic correlations of Ayurveda Prakriti through a multidisciplinary approach

Funding Agency: Ministry of Ayush (2026-2029)

Budget: 7,000,000 INR

Principal Investigator: Dr. Dileep K Vijayan


2) Project Title: Toxicology studies and dosage of GI tagged sesamum oil Investigation Toxicology studies and dosage of GI tagged sesamum oil Investigation into the acute and sub-acute toxicity of sesame oil in rats

Funding Agency: Onattukara Vikasana Agency (2025-2026)

Budget: 265,000 INR

Principal Investigator: Dr. Dileep K Vijayan


3) Project Title: Evaluation of the Immunomodulatory Effects of Micronized Curcumin Formulations

Funding Agency: Symega Food Ingredients Limited (2024-2026)

Budget: 1,000,000 INR

Principal Investigator: Dr. Dileep K Vijayan


Completed

1) Project Title: Investigation into the bioavailability and acute toxicity of micro ionized curcumin formulation in rats

Funding Agency: Symega Food Ingredients Limited (2024-2025)

Budget: 500,000 INR

Principal Investigator: Dr. Dileep K Vijayan


2) Project Title: Elucidating the role of spices as preventive and therapeutic agents for Alzheimers disease.

Funding Agency: Spices Board, Govt. of India (2022-2025)

Budget: 5,008,000 INR.

Principal Investigator: Dr. Dileep K Vijayan


3) Project Title: Study on the phenotypic-genotypic relations of Ayurveda prakriti through a multi-disciplinary approach

Funding Agency: Jubilee Mission Medical College and Research Institute (2021-2025).

Budget: 1,500,000 INR

Principal Investigator: Dr. Dileep K Vijayan


4) Project Title: Non-invasive treatment of uterine fibroids through rationally designed selective progesterone receptor modulators

Funding Agency: Dept. of Health Research, Govt. of India. (2021-2024)

Budget: 9,244,910 INR

Principal Investigator: Dr. Dileep K Vijayan


5) Project Title:  Discovery of human Glutaminyl Cyclase inhibitors for the treatment of Alzheimer's disease.

Funding Agency: Funded by Ministry of Education Culture, Sports, Science and Technology, Govt. of Japan. (2016-2018)

Budget: 2,400,000 JPY (approx. 1,600,000 INR).

Principal Investigator: Dr. Dileep K Vijayan 


2026

  • Saritha, F., Kumar, R.A. and Dileep, K.V., 2026. Unravelling the structural impact of progesterone receptor mutations in myoma and progesterone intolerance through computational modeling. Computers in Biology and Medicine, 202, p.111476. https://doi.org/10.1016/j.compbiomed.2026.111476
  • Aiswarya, N., Remya, C., Sajitha, K., Rajan, R., Vasudevan, D.M. and Dileep, K.V., 2026. Methyl eugenol as a multitarget-directed ligand for Alzheimer disease: A promising lead for drug design. ASPET Discovery, 2.

2025

  • Hima, S., Remya, C., Abhithaj, J., Arun, K. G., Sabu, A., Sajitha, K., Rajan, R., Vasudevan, D. M., &Dileep, K. V. (2025). Insights into the structural and biophysical mechanisms of benzamidine-driven inhibition of human lysozyme aggregation. International Journal of Biological Macromolecules, 141139. https://doi.org/10.1016/j.ijbiomac.2025.141139
  • Babu, A., Remya, C., Sajith, A. M., Dileep, K. V., Kenchaiah, S., & Khade, A. (2025). The complex interplay between ligand strain, coulombic interactions, and binding site dynamics of two congeneric AChE inhibitors. Journal of Molecular Structure, 141479. https://doi.org/10.1016/j.molstruc.2025.141479
  • Sajitha, K., Rao, K. Y., Yesu, V. B., Remya, C., Dileep, K. V., Narayana, V. V. P. C., Basha, S. J., Vamsi, K., Babu, D. S., Murali, V., Ganesh, V., Damu, A. G., Srinivasulu, D., & Vijaya, J. N. V. (2025). Design, synthesis, characterization and in vitro evaluation of anticholinesterase and antioxidant activities of thiazole-piperazine sulfonamide hybrids. Chemistry and Biodiversity. https://doi.org/10.1002/cbdv.202500567
  • Kandrakonda, Y. R., Remya, C., Dileep, K. V., Shaik, J. B., Gajula, N. N., & Mothukuru, S. (2025). Quinazolinone acrylamides as anti-Alzheimer agents: Unravelling their modulating efficacy on amyloidogenic peptide assembly at molecular level. ACS Chemical Neuroscience. https://doi.org/10.1021/acschemneuro.5c00062
  • Hima, S., Aiswarya, N., Remya, C., Vasudevan, D. M., Dileep, K. V., & Dileep, F. (2025). Deciphering protein aggregation: Insights into morphology, factors, and diseases. Advances in Protein Chemistry and Structural Biology. https://doi.org/10.1016/bs.apcsb.2024.11.009
  • Dileep, K. V., Sakai, N., Ihara, K., Nakata, A., Ito, A., Sivaraman, D. M., & Yip, C. W. (2025). Identification of benzimidazole-6-carboxamide based inhibitors of secretory glutaminyl cyclase for the treatment of Alzheimer's disease. International Journal of Biological Macromolecules, 293, 139320. https://doi.org/10.1016/j.ijbiomac.2024.139320
  • Kumar, S.S., Remya, C., Krishnakumar, K., Maria, E., Dileep, K.V. and John, M., 2025. Modulation of COX-2, 5-LOX, and cytokine signalling by Carica papaya L. Leaf cultivar Red Lady flavonoids in inflammation: in-vitro and in-silico insights. Natural Product Research, pp.1-7.
  • Aiswarya, N., Hima, S., Remya, C., Vasudevan, D.M., Dileep, K.V. and Francis, D., 2025. Molecular blueprints: Guiding drug discovery through protein structure analysis. Advances in Protein Chemistry and Structural Biology, 147, pp.37-99.
  • Paul, S., Chandran, R., Vijayan, D.K., Bhardwaj, J., Singh, P., Shetty, P., Cheruku, S., Meleveetil, S. and Krishnamma, B.B., 2025. A Cdk5 inhibitor restores cognitive function and alleviates type 2 diabetes in mice. iScience, 28(4).

2024

  • Hima, S., Remya, C., Sadasivan, C., & Dileep, K. V. (2024). Carboxylic acid derivatives suppress the growth of Aspergillus flavus through the inhibition of fungal alpha-amylase. Journal of Biomolecular Structure and Dynamics, 42(7), 3563-3567. https://doi.org/10.1080/07391102.2023.2214464
  • Yelamanda Rao, K., Chandran, R., Dileep, K. V., Gorantla, S. C., & Basha, S. J. (2024). Quinazolinone-hydrazine cyanoacetamide hybrids as potent multitarget-directed druggable therapeutics against Alzheimer's disease: Design, synthesis, and biochemical, in silico. ACS Chemical Neuroscience, 15(18), 3401-3420. https://doi.org/10.1021/acschemneuro.4c00260
  • Remya, C., Aiswarya, N. and Dileep, K.V., 2024. Unveiling Nature's Arsenal: Natural Sources for Drug Discovery in Alzheimer's Disease. In Drugs from Nature: Targets, Assay Systems and Leads (pp. 333-366). Singapore: Springer Nature Singapore.

2023

  • Saritha, F., Aiswarya, N., Aswath Kumar, R., & Dileep, K. V. (2023). Structural analysis and ensemble docking revealed the binding modes of selected progesterone receptor modulators. Journal of Biomolecular Structure and Dynamics, 41(21), 12401-12410. https://doi.org/10.1080/07391102.2022.2147746
  • Babu, A., John, M., Liji, M. J., Maria, E., Bhaskar, S. J., Binukmar, B. K., Sajith, A. M., Reddy, E. K., Dileep, K. V., & Sunil, K. (2023). Sub-pocket-focused designing of tacrine derivatives as potential acetylcholinesterase inhibitors. Computers in Biology and Medicine, 155, 106666. 
  • Liggri, P. G. V., Prez-Garrido, A., Tsitsanou, K. E., Dileep, K. V., Michaelakis, A., Papachristos, D. P., Prez-Snchez, H., & Zographos, S. E. (2023). 2D fingerprinting and molecular docking studies identified potent mosquito repellents targeting odorant binding protein 1. Insect Biochemistry and Molecular Biology, 157, 103961. https://doi.org/10.1016/j.ibmb.2023.103961
  • Balaram, N., Jose, J., Gafoor, A., Balachandran, S., Saritha, F., Dileep, K. V., & Balan, S. (2023). Acetazolamide responsive early-onset absence epilepsy and ataxia in a toddler with a KCNA2 genetic variant: A case report. Seizure: European Journal of Epilepsy, 110, 157-159. https://doi.org/10.1016/j.seizure.2023.06.004
  • Remya, C., Dileep, K. V., Variyar, E. J., Omkumar, R. V., & Sadasivan, C. (2023). Lobeline: A multifunctional alkaloid modulates cholinergic and glutamatergic activities. IUBMB Life, 75(10), 844-855. https://doi.org/10.1002/iub.2920
  • Remya, C., Variyar, E. J., Omkumar, R. V., Sadasivan, C., &Dileep, K. V. (2023). Unveiling the molecular basis of lobeline's allosteric regulation of NMDAR: Insights from molecular modeling. Scientific Reports, 13(1), 22418. https://doi.org/10.1038/s41598-023-49735-4

2022

  • Viswanadhapalli, S., Dileep, K. V., Zhang, K. Y. J., Nair, H. B., & Vadlamudi, R. K. (2022). Targeting LIF/LIFR signaling in cancer. Genes & Diseases, 9(4), 973-980. https://doi.org/10.1016/j.gendis.2021.04.003
  • Gupta, P., Kadamberi, I. P., Mittal, S., Tsaih, S. W., George, J., Kumar, S., Vijayan, D. K., Geethadevi, A., Parashar, D., Topchyan, P., McAlarnen, L., Volkman, B. F., Cui, W., Zhang, K. Y. J., Di Vizio, D., Raghavan, P. C., & Pradeep, S. (2022). Tumor derived extracellular vesicles drive T cell exhaustion in tumor microenvironment through sphingosine mediated signaling and impacting immunotherapy outcomes in ovarian cancer. Advanced Science, 9(14), 2104452. https://doi.org/10.1002/advs.202104452
  • Dileep, K. V., Ihara, K., Mishima-Tsumagari, C., Kukimoto-Niino, M., Yonemochi, M., Hanada, K., Shirouzu, M., & Zhang, K. Y. J. (2022). Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery. International Journal of Biological Macromolecules, 210, 172-181. https://doi.org/10.1016/j.ijbiomac.2022.03.097
  • Aiswarya, N., Remya, C., Remashree, A. B., Sadasivan, C., & Dileep, K. V. (2022). Binding of rosmarinic acid, curcumin, and capsaicin with PLA2: A comparative study. Biochemical and Biophysical Research Communications, 626, 187-191. https://doi.org/10.1016/j.bbrc.2022.09.063

2021

  • Dileep, K. V., Sakai, N., Ihara, K., Murayama, M. K., Nakata, A., Ito, A., Sivaraman, D. M., Shin, J. W., Yoshida, M., Shirouzu, M., & Zhang, K. Y. J. (2021). Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. International Journal of Biological Macromolecules, 170, 415-423. https://doi.org/10.1016/j.ijbiomac.2020.12.066
  • Remya, C., Dileep, K. V., Variyar, E. J., Zhang, K. Y. J., Omkumar, R. V., & Sadasivan, C. (2021). Chemical similarity-assisted search for acetylcholinesterase inhibitors: Molecular modeling and evaluation of their neuroprotective properties. International Journal of Biological Macromolecules, 174, 466-476. https://doi.org/10.1016/j.ijbiomac.2021.01.035
  • Janezic, M., Dileep, K. V., & Zhang, K. Y. J. (2021). A multidimensional computational exploration of congenital myasthenic syndrome-causing mutations in human choline acetyltransferase. Journal of Cellular Biochemistry, 122(8), 787-800. https://doi.org/10.1002/jcb.29740
  • Balan, S., Iwayama, Y., Ohnishi, T., Fukuda, M., Shirai, A., Yamada, A., Weirich, S. M. K., Dileep, K. V., Endo, T., & Hisano, Y. (2021). A loss-of-function variant in SUV39H2 identified in autism-spectrum disorder causes altered H3K9 trimethylation and dysregulation of protocadherin -cluster genes in the developing brain. Molecular Psychiatry, 26(12), 7550-7559. https://doi.org/10.1038/s41380-021-01183-1
  • Remya, C., Dileep, K. V., Reddy, E. K., Mantosh, K., Lakshmi, K., Jacob, R. S., Sajith, A. M., Variyar, E. J., Anwar, S., Zhang, K. Y. J., & Sadasivan, C. (2021). Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase design, synthesis and biological evaluation. Computational and Structural Biotechnology Journal, 19, 4517-4537. https://doi.org/10.1016/j.csbj.2021.08.010
  • Chandran, R., & Dileep, K. V. (2021). Exploring the binding mode of PQ912 against secretory glutaminyl cyclase through systematic exploitation of conformational ensembles. Chemical Biology & Drug Design, 98(5), 850-856. https://doi.org/10.1111/cbdd.13910


Dr Saritha Francis
Dr Saritha Francis
Scientist B
Dr Remya Chandran
Dr Remya Chandran
Scientist C
Chaithanya M
Chaithanya M
Research Fellow
Dr Vidya R Nair
Dr Vidya R Nair
Post doctoral Fellow (Ayush)
Angel Davis
Angel Davis
PhD Student (UGC-JRF)
Aiswarya N
Aiswarya N
Research Fellow
Hima sree
Hima sree
Research Fellow