•  Jha, A., Sampangin Venkatesh, S.K., Singh, A., and Lakkaniga, N.R. Synergistic Combinations for Improved Therapeutic Outcomes in Triple Negative Breast Cancer. Cell Biology International. (2026). https://doi.org/10.1002/cbin.70157.

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• Sampangin Venkatesh, S.K., Das, A. & Lakkaniga, N.R.  Evaluating the FEP+ protocol for predicting binding affinity of congeneric ligands towards various soluble proteins. RSC Med. Chem. (2025). http://dx.doi.org/10.1039/D5MD00748H
   

• Jha, A., Sampangin Venkatesh, S.K. & Lakkaniga, N.R. Network pharmacology based study of TCM formulations for non-insulin dependent diabetes mellitus. In Silico Pharmacol. 13, 165 (2025). https://doi.org/10.1007/s40203-025-00451-0
   

• Dorandish, S., Bhayekar, K., Singh, A., Kushwaha, N. D., Malin, E., Serafimovski, S., Kelm, J. M., Gavande, N. S., & Lakkaniga, N. R. (2025). Evolution of structure-guided drug design strategies targeting mutations in codon 12 of KRAS. RSC Medicinal Chemistry, 2025, 16, 3429-3455. http://dx.doi.org/10.1039/D5MD00169B
   

• Singh, A. and Lakkaniga, N.R. (2025). Exploring the Conformational Space of MPS1 Kinase Using Metadynamics. Proteins: Structure, Function, and Bioinformatics, 93: 1118-1127. https://doi.org/10.1002/prot.26796
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• Halder, P., Rai, A., Talukdar, V., Das, P., & Lakkaniga, N. R. (2024). Pyrazolopyridine-based kinase inhibitors for anti-cancer targeted therapy. RSC Medicinal Chemistry, 15(5), 1452-1470.​
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• Chatterjee, A., Jayaprakasan, M., Chakrabarty, A. K., Lakkaniga, N. R., Bhatt, B. N., Banerjee, D., ... & Dubey, S. K. (2024). Comprehensive insights into rheumatoid arthritis: Pathophysiology, current therapies and herbal alternatives for effective disease management. Phytotherapy Research.
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• Lakkaniga, N. R., Wang, Z., Xiao, Y., Kharbanda, A., Lan, L., & Li, H. Y. (2024). Revisiting Aurora Kinase B: A promising therapeutic target for cancer therapy. Medicinal Research Reviews, 44(2), 686-706.
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• Acharya, B., Saha, D., Armstrong, D., Hanafi, M., Herrera-Rueda, A., Lakkaniga, N. R., & Frett, B. (2024). Kinase inhibitor macrocycles: a perspective on limiting conformational flexibility when targeting the kinome with small molecules. RSC Medicinal Chemistry, 15(2), 399-415.​
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• Acharya, B., Saha, D., Armstrong, D., Lakkaniga, N. R., & Frett, B. (2022). FLT3 inhibitors for acute myeloid leukemia: successes, defeats, and emerging paradigms. RSC Medicinal Chemistry, 13(7), 798-816.
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• Zhang, L., Moccia, M., Briggs, D.C., Bharate, J.B., Lakkaniga, N.R., Knowles, P., Yan, W., Tran, P., Kharbanda, A., Wang, X. and Leung, Y.K., 2022. Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose. Journal of Medicinal Chemistry, 65(2), pp.1536-1551.
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• Moccia, M., Yang, D., Lakkaniga, N. R., Frett, B., McConnell, N., Zhang, L., ... & Carlomagno, F. (2021). Targeted activity of the small molecule kinase inhibitor Pz-1 towards RET and TRK kinases. Scientific Reports, 11(1), 16103.
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• Zhang, L., Lakkaniga, N.R., Bharate, J.B., Mcconnell, N., Wang, X., Kharbanda, A., Leung, Y.K., Frett, B., Shah, N.P. and Li, H.Y., 2021. Discovery of imidazo [1, 2-a] pyridine-thiophene derivatives as FLT3 and FLT3 mutants inhibitors for acute myeloid leukemia through structure-based optimization of an NEK2 inhibitor. European journal of medicinal chemistry, 225, p.113776.
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• Bowroju, S.K., Penthala, N.R., Lakkaniga, N.R., Balasubramaniam, M., Ayyadevara, S., Reis, R.J.S. and Crooks, P.A., 2021. Novel hydroxybenzylamine-deoxyvasicinone hybrids as anticholinesterase therapeutics for Alzheimer’s disease. Bioorganic & Medicinal Chemistry, 45, p.116311.
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• Saha, D., Ryan, K.R., Lakkaniga, N.R., Acharya, B., Garcia, N.G., Smith, E.L. and Frett, B., 2021. Targeting Rearranged during Transfection in Cancer: A Perspective on Small-Molecule Inhibitors and Their Clinical Development. Journal of Medicinal Chemistry, 64(16), pp.11747-11773.
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• Saha, D., Ryan, K.R., Lakkaniga, N.R., Smith, E.L. and Frett, B., 2021. Pyrazoloadenine inhibitors of the RET lung cancer oncoprotein discovered by a fragment optimization approach. ChemMedChem, 16(10), pp.1605-1608.
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• Lakkaniga, N. R., Zhang, L., Belachew, B.A., Naresh, G., Frett, B., Li, H.Y. Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for a reduced myelosuppression profile. European Journal of Medicinal Chemistry 2020, 203, 112589. https://doi.org/10.1016/j.ejmech.2020.112589 
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• Lakkaniga, N. R., Gunaganti, N., Zhang, L., Frett, B., & Li, H. Pyrrolo[2,3-d]pyrimidine derivatives as inhibitors of RET: Design, synthesis and biological evaluation. European Journal of Medicinal Chemistry 2020, 206, 112691. https://doi.org/10.1016/j.ejmech.2020.112691
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• Lakkaniga, N. R.; Balasubramaniam, M.; Zhang, S.; Frett, B.; Li, H.-Y. Structural Characterization of the Aurora Kinase B “DFG-Flip” Using Metadynamics. The AAPS Journal 2020, 22 (14). https://doi.org/10.1208/s12248-019-0399-6 
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• Balasubramaniam, M.*, Lakkaniga, N.R.*, Dera, A.,Fayi, M.A., Abohashrh, M., Ahmad, I., Chandramoorthy, H.C., Rajagopalan, P. FCX-146, a potent allosteric inhibitor of Akt Kinase in cancer cells: Lead optimization of the second-generation arylidene indanone scaffold. Biotechnology and Applied Biochemistry . https://doi.org/10.1002/bab.1896 [Co-first author] 
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• Moccia, M., Frett, B., Zhang, L., Lakkaniga, N. R., Briggs, D., Chauhan, R., Brescia, A., Federico, G., Santoro, M., McDonald, N., Li, H., Carlomagno, F. Bioisosteric discovery of NPA101.3, a second generation RET/VEGFR2 inhibitor optimized for single-agent polypharmacology. Journal of medicinal chemistry, 63(9), pp. 4506-4516. https://doi.org/10.1021/acs.jmedchem.9b01336 
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• Naresh, G., Lakkaniga, N.R., Kharbanda, A., Yan, W., Frett, B. and Li, H.Y., 2019. Use of Imidazo [1, 2‐a] pyridine as a Carbonyl Surrogate in a Mannich‐Like, Catalyst Free, One‐Pot Reaction. European Journal of Organic Chemistry, 2019(4), pp.770-777. https://doi.org/10.1002/ejoc.201801430 
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• Saha, D., Kharbanda, A., Yan, W., Lakkaniga, N.R., Frett, B. and Li, H.Y., 2019. The Exploration of Chirality for Improved Druggability within the Human Kinome. Journal of medicinal chemistry,  63(2), pp. 441-469. https://doi.org/10.1021/acs.jmedchem.9b00640 
   

• Gunaganti, N., Kharbanda, A., Lakkaniga, N. R., Zhang, L., Cooper, R., Li, H. Y., & Frett, B. (2018). Catalyst free, C-3 functionalization of imidazo [1, 2-a] pyridines to rapidly access new chemical space for drug discovery efforts. Chemical communications, 54(92), 12954-12957. https://doi.org/10.1039/c8cc07063f 
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• Yan, W., Lakkaniga, N.R., Carlomagno, F., Santoro, M., McDonald, N.Q., Lv, F., Gunaganti, N., Frett, B. and Li, H.Y., 2018. Insights into current tropomyosin receptor kinase (TRK) inhibitors: development and clinical application. Journal of medicinal chemistry, 62(4), pp.1731-1760. https://doi.org/10.1021/acs.jmedchem.8b01092 
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• Bharate, J. B., McConnell, N., Naresh, G., Zhang, L., Lakkaniga, N. R., Ding, L., ... & Li, H. Y.(2018). Rational Design, Synthesis and Biological Evaluation of Pyrimidine-4, 6-diamine derivatives as Type-II inhibitors of FLT3 Selective Against c-KIT. Scientific reports, 8(1), 3722. https://doi.org/10.1038/s41598-018-21839-3 
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• Krishna, H., Agarwal, A., Chamola, V., Lakkaniga, N.R., Hassija, V., Sikdar, B, "A Review on the Role of Machine Learning in Enabling IoT Based Healthcare Applications", IEEE Access, vol. 9, pp. 38859 - 38890, 2021. https://doi.org/10.1109/ACCESS.2021.3059858
   

• Saha, D., Ryan, K., Lakkaniga, N.R., Frett., B. (2021) Pyrazoloadenines as Inhibitors for the RET Lung Cancer Oncoprotein Discovered via a Phenotypic Fragment-Based Approach. ChemMedChem, 16(10), 1605-1608. https://doi.org/10.1002/cmdc.202100013 
   

• Rohmetra, H., Raghunath, N., Narang, P., Chamola, V., Lakkaniga, N.R.*, AI-enabled remote monitoring of vital signs for COVID-19: Methods, Prospects and Challenges. Computing [Corresponding author]. https://doi.org/10.1007/s00607-021-00937-7 ​​