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Dr. Jaikee Kumar Singh

Dr. Jaikee Kumar Singh

Designation Assistant Professor
School Anand School of Engineering & Technology
Department Biotechnology
E-mail jaikee.singh@agra.sharda.ac.in
About

Dr. Jaikee Kumar Singh is an Assistant Professor in the Department of Biotechnology at the Anand School of Engineering & Technology, Sharda University Agra. He previously served at Marwadi University, Rajkot (2024–2026), and Jaipur National University, Jaipur (2014–2022). His research focuses on structural bioinformatics, computer-aided drug discovery, molecular docking, molecular dynamics simulations, pharmacophore modelling, and protein–ligand interactions, with particular emphasis on infectious diseases and therapeutic discovery. He earned his Ph.D. in Biological Sciences, specializing in Structural Bioinformatics, from Manipal University Jaipur (2019–2024), following an M.Tech. in Bioinformatics from Sam Higginbottom University of Agriculture, Technology and Sciences and a B.Tech. in Biotechnology from Anand Engineering College, Agra. His doctoral research investigated the structural dynamics and host-receptor interactions of SARS-CoV-2 Omicron and its subvariants using molecular dynamics simulations, binding free-energy calculations, and in silico screening approaches. He also served as a Senior Research Fellow in an Indian Council of Medical Research (ICMR)-funded project. With more than a decade of experience in teaching and research, Dr. Singh has taught courses including Computer-Aided Drug Designing, Pharmacogenomics, Biomolecular Modelling and Simulation, and Structural Bioinformatics. He has authored numerous research articles, review papers, and book chapters in reputed international journals and academic publications. His research contributions span infectious diseases, cancer biology, antimicrobial resistance, and computational approaches to drug discovery. He has also served as a reviewer for journals published by Elsevier and Taylor & Francis and contributed to academic leadership, research coordination, and accreditation activities.

Experience

10+ Years

Qualification
  • PhD: 2024
  • M.Tech: 2013
  • B.Tech: 2011
Award & Recognition

Indian Council of Medical Research – Senior Research Fellowship in August, 2022, India

Research

Singh, J. K., Avashthi, H., Chandra, M., Shah, S., Gware, P., Lakdawala, H., ... & Verma, A. K. (2026). Advances in Norovirus Detection and Surveillance: A Brief Review of Conventional Methods and Cutting-Edge Bioinformatics Approaches. Decoding Infection and Transmission, 100094.

Jangir K, Kumar N, Saini C, Vats P, Baweja B, Patidar P, Soni R, Lakdawala H, Singh JK, Nema R. Prognostic significance of the MELK/TMPO-AS1/hsa-let-7b-5p network in lung adenocarcinoma. Frontiers in Oncology. 2026 Aug 31; 16:1956981.

Zacharia, A. J., Trivedi, Y., Chathiwala, Z., Lakdawala, H., Singh, J. K., & Shah, S. (2026, August). Noise-Tolerant Multi-Model Ensemble for Robust Hypothyroid Classification. In 2026 International Conference on Advancements in Smart, Secure and Intelligent Computing (ASSIC) (pp. 1-7). IEEE.

Roy, M., Desai, K., Parmar, Z., Rajput, T., Singh, J. K., Kaushik, S., ... & Srivastava, V. K. (2026). Insilico study to unveil the characteristics of pseudoRab GTPases in pathogenic protozoan parasites: Entamoeba histolytica. In Silico Pharmacology, 14(2), 190.

Patel, K., Viradia, V., Jethwa, K., Detroja, R., Singh, J. K., Avashthi, H., & Chandra, M. (2026). Utilization of computational resources for genomic data mining and integration in medicinal plant breeding initiatives. In Biofabrication and Synthetic Biology in Medicinal Plants (pp. 259-272). Academic Press.

Singh, N. K., Verma, V. C., Singh, J. K., Ata, S. M. N., & Singh, A. (2026). Neurodegenerative diseases: Biomarkers and early diagnostic techniques. In Elsevier eBooks (pp. 87–106). https://doi.org/10.1016/b978-0-443-33263-0.00002-4.

Raja, P., Singh, J. K., & Shah, S. (2026). Epigenetic regulation of tumor suppressor genes in oral squamous cell carcinoma: A review. Journal of Oral and Maxillofacial Surgery Medicine and Pathology. https://doi.org/10.1016/j.ajoms.2026.03.011

H. Lakdawala, Z. Chathiwala, Y. Trivedi, J. K. Singh, H. Avashthi and S. Shah, "Optimized Parameter Selection for Parkinson's Diagnosis Using a Hybrid Machine Learning Models," 2025 IEEE 13th Region 10 Humanitarian Technology Conference (R10-HTC), Ichikawa, Japan, 2025, pp. 288-293, doi: 10.1109/R10-HTC63995.2025.11394167.

Ahmed, S. F., Ahmed, M. R., Hemal, M. F. P., Chandni, F. M., Rafsan, T. A., Sarker, S., Singh, J. K., Meena, K. K., Arora, K., & Verma, A. K. (2025). In silico evaluation of Ocimum sanctum phytochemicals for diabetic foot ulcer therapy through docking, ADMET, DFT, and molecular dynamics. Scientific reports, 15(1), 43092. doi.org/10.1038/s41598-025-27849-2

Trivedi Y, Kansara K, Patel K, Singh JK, Shah S, Chandra M. Prediction of Alzheimer's Disease Using Machine Learning Models. In2025 International Conference on Advancements in Smart, Secure and Intelligent Computing (ASSIC) 2025 May 16 (pp. 1-7). IEEE.

Singh, J.K., Singh, J., Jha, I. et al. In silico studies on nicotinamide analogs as competitive inhibitors of nicotinamidase in methicillin-resistant Staphylococcus aureus. Mol Divers (2024). https://doi.org/10.1007/s11030-024-11036-y 

Gowda, K.; Raza, A.; Vangala, V.; Lone, N.A.; Lin, J.M.; Singh, J.K.; Srivastava, S.K.; Schell, T.D.; Robertson, G.P.; Amin, S.; et al. Identification of Novel Isatin Derivative Bearing a Nitrofuran Moiety as Potent Multi-Isoform Aldehyde Dehydrogenase Inhibitor. Molecules 2024, 29, 3114. doi.org/10.3390/molecules29133114. .

Shah V, Singh JK, Srivastava SK, Konnur A, Gang S, Pandey SN. INF2 and ROBO2 gene mutation in an Indian family with end stage renal failure and follow-up of renal transplantation. Nephrology (Carlton). 2024 Jan;29(1):48-54. doi: 10.1111/nep.14244. Epub 2023 Sep 29. PMID: 37772439. .

Singh JK, Singh J, Srivastava SK. Investigating the role of glycans in Omicron sub-lineages XBB.1.5 and XBB.1.16 binding to host receptor using molecular dynamics and binding free energy calculations. J Comput Aided Mol Des. 2023 Nov;37(11):551-563. doi: 10.1007/s10822-023-00526-0. Epub 2023 Aug 5. PMID: 37542610. .

Singh JK, Anand S, Srivastava SK. Is BF.7 more infectious than other Omicron subtypes: Insights from structural and simulation studies of BF.7 spike RBD variant. Int J Biol Macromol. 2023 May 31;238:124154. doi: 10.1016/j.ijbiomac.2023.124154. Epub 2023 Mar 24. PMID: 36965551; PMCID: PMC1003629. .

Singh JK, Dubey S, Srivastava G, Siddiqi MI, Srivastava SK. Neohesperidin and spike RBD interaction in omicron and its sub-variants: In silico, structural and simulation studies. Comput Biol Med. 2023 Jan;152:106392. doi: 10.1016/j.compbiomed.2022.106392. Epub 2022 Dec 5. PMID: 36502697; PMCID: PMC9721375. .

Elbezanti WO, Al-Odat OS, Chitren R, Singh JK, Srivastava SK, Gowda K, Amin S, Robertson GP, Nemmara VV, Jonnalagadda SC, Budak-Alpdogan T, Pandey MK. Development of a novel Bruton's tyrosine kinase inhibitor that exerts anti-cancer activities potentiates response of chemotherapeutic agents in multiple myeloma stem cell-like cells. Front Pharmacol. 2022 Sep 9;13:894535. doi: 10.3389/fphar.2022.894535. PMID: 36160379; PMCID: PMC9500300. .

Chauhan S, Srivastava M, and Singh JK, "DocVSP (Docking-based Virtual Screening Perl-script) for automating and integrating AutoDock & SBDD", In: Raju Pal and Praveen Kumar Shukla (eds), SCRS Conference Proceedings on Intelligent Systems, SCRS, India, 2022, pp. 287-291. doi.org/10.52458/978-93-91842-08-6-28.

Srivastava M, Singh J, SHARMA J. IN-SILICO ADMET PROFILING OF VALPROIC ACID DERIVATIVES FOR THE TREATMENT OF EPILEPSY. International Journal of biology, Pharmacy and Allied Sciences, 2020, 9(1): 2443-2453. Doi.10.31032/ijbpas/2020/9.1.4903.

Singh, J. K., & Pareek, S. (2014). Comparison of different classification techniques using WEKA for hepatitis. Indian Journal of Applied research, 4(10).

Raja, P., Singh, J. K., & Shah, S. (2026). Epigenetic Regulation of Tumor Suppressor Genes in Oral Squamous Cell Carcinoma: A Review. Journal of Oral and Maxillofacial Surgery, Medicine, and Pathology.

Avashthi, H., Angadi, U. B., Majumdar, S. G., Bhati, J., Singh, D. B., Chandra, M., Singh, J.K., Sinha, A., Shah, S. & Mishra, D. C. (2025). A systematic review on revolutionizing veterinary drug discovery: harnessing omics data to combat complex diseases in domestic animals. Network Modeling Analysis in Health Informatics and Bioinformatics, 14(1), 60.

Ahmad R, * Singh JK*, Wunnava A, Al-Obeed O, Abdulla M, Srivastava SK. Emerging trends in colorectal cancer: Dysregulated signaling pathways (Review). Int J Mol Med. 2021 Mar;47(3):14. doi: 10.3892/ijmm.2021.4847. Epub 2021 Jan 7. PMID: 33655327; PMCID: PMC7834960. (Equal first authors).

Abdulla MH, Agarwal D, Singh JK, Traiki TB, Pandey MK, Ahmad R, Srivastava SK. Association of the microbiome with colorectal cancer development (Review). Int J Oncol. 2021 May;58(5):17. doi: 10.3892/ijo.2021.5197. Epub 2021 Mar 24. PMID: 33760154. .

Singh, N.K., Singh, J.K., Rishika Munjal, Verma, V.C., Singh, A. (2026). Navigating the Future Landscape and Overcoming Challenges in Nanomaterials for Metabolic Syndrome. In: Chaturvedi, V.K., Singh, A.K., Singh, J., Yadav, D.P. (eds) Nanotheranostics in Metabolic Syndrome. Springer, Singapore.

Singh, N. K., Singh, J. K., & Verma, V. C. (2025). 10 Role of artificial intelligence (AI) and machine learning (ML) in disease forecasting and disease epidemiology. Artificial Intelligence in Microbiology: Environmental, Food, Plant and Clinical Microbiology, 207.

Singh, N. K., Singh, J. K., & Verma, V. C. (2025). 13 Prediction of antimicrobial activity using artificial intelligence. Artificial Intelligence in Microbiology: Environmental, Food, Plant and Clinical Microbiology, 281.

Dubey, S., Singh, J., Jaiswal, G., Verma, A. K., Telang, S. P., Srivastava, A., Singh, J.K. & Srivastava, S. K. (2025). Genomics and Bioinformatics in the Discovery and Validation of Diagnostic Biomarkers. In Advances in Cancer Detection, Prediction, and Prognosis Using Artificial Intelligence and Machine Learning (pp. 139-163). Singapore: Springer Nature Singapore