Kumar, V., Singh, P., Jung, T.S., Lee, J.S., Lee, K.W., & Hong, J.C. 2024. “Modeling of FAK-PROTAC Candidates from GSK2256098 Analogues for Targeted Protein Degradation.” Biochemical and Biophysical Research Communications, 30(8), 268. https://doi.org/10.1016/j.bbrc.2024.151001. Impact Factor: 2.5 (2023).
Singh, P., Kumar, V., Jung, T.S., Lee, J.S., Lee, K.W., & Hong, J.C. 2024. “Uncovering Potential CDK9 Inhibitors from Natural Compound Databases Through Docking-Based Virtual Screening and MD Simulations.” Journal of Molecular Modeling, 30(8), 267. https://doi.org/10.1007/s00894-024-05322-0. Impact Factor: 2.5 (2022).
Singh, P., Kumar, V., Lee, K.W., & Hong, J.C. 2024. “Discovery of Novel Allosteric SHP2 Inhibitor Using Pharmacophore-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and Principal Component Analysis.” Pharmaceuticals, 17(7), 935. https://doi.org/10.3390/ph17070935. Impact Factor: 5.2 (2022).
Kumar, V., Singh, P., Parate, S., Singh, R., Ro, H.S., Song, K.S., Lee, K.W., & Park, Y.M. 2024. “Computational Insights Into Allosteric Inhibition of Focal Adhesion Kinase: A Combined Pharmacophore Modeling and Molecular Dynamics Approach.” Journal of Molecular Graphics and Modelling, 130, 1088789. https://doi.org/10.1016/j.jmgm.2024.1088789. Impact Factor: 2.9 (2022).
Hossain, A.J., Islam, R., Seo, J.B., Park, H.S., Kim, J.I., Kumar, V., Lee, K.W., & Park, J.B. 2023. “Association of Phosphorylated Pyruvate Dehydrogenase with Pyruvate Kinase M2 Promotes PKM2 Stability in Response to Insulin.” International Journal of Molecular Sciences, 24(18), 13697. https://doi.org/10.3390/ijms241813697. Impact Factor: 5.6 (2022).
Parate, S., Kumar, V., Hong, J.C., & Lee, K.W. 2023. “Investigation of Macrocyclic mTOR Modulators of Rapamycin Binding Site via Pharmacoinformatics Approaches.” Computational Biology and Chemistry, 104, 107875. https://doi.org/10.1016/j.compbiolchem.2023.107875. Impact Factor: 2.5 (2022).
Kumar, V., Kumar, R., Parate, S., Danishuddin, G., Lee, G., Kwon, M., & Jeong, S.H. 2023. “Identification of Activated Cdc42-Associated Kinase Inhibitors as Potential Anticancer Agents Using Pharmacoinformatic Approaches.” Biomolecules, 13(2), 217. https://doi.org/10.3390/biom13020217. Impact Factor: 4.8 (2022).
Idrees, M., Kumar, V., Khan, A.M., Joo, M.D., Lee, K.W., Sohn, S.H., & Kong, I.K. 2023. “Cycloastragenol Activation of Telomerase Improves β-Klotho Protein Level and Attenuates Age-Related Malfunctioning in Ovarian Tissues.” Mechanisms of Ageing and Development, 209, 111756. https://doi.org/10.1016/j.mad.2023.111756. Impact Factor: 4.2 (2022).
Singh, P., Kumar, V., Lee, G., Jung, T.S., Ha, M.W., Hong, J.C., & Lee, K.W. 2022. “Pharmacophore-Oriented Identification of Potential Leads as CCR5 Inhibitors to Block HIV Cellular Entry.” International Journal of Molecular Sciences, 23(24), 16122. https://doi.org/10.3390/ijms232416122. Impact Factor: 5.6 (2022).
Idrees, M., Kumar, V., Khan, A.M., Joo, M.D., Uddin, Z., Lee, K.W., & Kong, I.K. 2022. “Hesperetin Activated SIRT1 Neutralizes Cadmium Effects on Early Bovine Embryo Development.” Theriogenology, 189, 209-221. https://doi.org/10.1016/j.theriogenology.2022.05.020. Impact Factor: 2.4 (2023).
Thakur, G., Kumar, V., Lee, K.W., & Won, C. 2022. “Structural Insights and Development of LRRK2 Inhibitors for Parkinson’s Disease in the Last Decade.” Genes, 13(8), 1426. https://doi.org/10.3390/genes13081426. Impact Factor: 4.1 (2022).
Danishuddin, Kumar, V., Lee, G., Yoo, J., Ro, H.S., & Lee, K.W. 2022. “An Attention Mechanism-Based LSTM Network for Cancer Kinase Activity Prediction.” SAR and QSAR in Environmental Research, 33(8), 631-647. https://doi.org/10.1080/1062936X.2022.2102760. Impact Factor: 2.0 (2022).
Kadam, U.S., Trinh, K.H., Kumar, V., Lee, K.W., Cho, Y., Can, M.H.T., Lee, H., & Kim, Y. 2022. “Identification and Structural Analysis of Novel Malathion-Specific DNA Aptameric Sensors Designed for Food Testing.” Biomaterials, 287, 121617. https://doi.org/10.1016/j.biomaterials.2022.121617. Impact Factor: 10.3 (2022).
Kumar, V., Parate, S., Danishuddin, Zeb, A., Singh, P., Lee, G., Jung, T.S., & Ha, M.W. 2022. “3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors.” Frontiers in Cellular and Infection Microbiology, 12, 909111. https://doi.org/10.3389/fcimb.2022.909111. Impact Factor: 5.3 (2022).
Barage, S., Karthic, A., Ravi, R., Desai, N., Kumar, R., Kumar, V., & Lee, K.W. 2022. “Identification and Characterization of Novel RdRp and Nsp15 Inhibitors for SARS-CoV-2 Using Computational Approach.” Journal of Biomolecular Structure and Dynamics, 40(6), 2557-2574. https://doi.org/10.1080/07391102.2021.1881010. Impact Factor: 3.5 (2022).
Parate, S., Kumar, V., Hong, J.C., & Lee, K.W. 2022. “Putative Dual Inhibitors of mTOR and RET Kinase from Natural Products: Pharmacophore-Based Hierarchical Virtual Screening.” Journal of Molecular Liquids, 350, 118562. https://doi.org/10.1016/j.molliq.2022.118562. Impact Factor: 6.1 (2022).
Kumar, V., Faheem, M., & Lee, K.W. 2022. “A Decade of Machine Learning-Based Predictive Models for Human Pharmacokinetics: Advances and Challenges.” Drug Discovery Today, 27(2), 529-537. https://doi.org/10.1016/j.drudis.2021.10.002. Impact Factor: 7.9 (2022).
Kulkarni, A.M., Kumar, V., Parate, S., Lee, G., Yoon, S., & Lee, K.W. 2022. “Identification of New KRAS G12D Inhibitors Through Computer-Aided Drug Discovery Methods.” International Journal of Molecular Sciences, 23(3), 1309. https://doi.org/10.3390/ijms23031309. Impact Factor: 5.6 (2022).
Parate, S., Kumar, V., Hong, J.C., & Lee, K.W. 2022. “Investigating Natural Compounds Against Oncogenic RET Tyrosine Kinase Using Pharmacoinformatic Approaches for Cancer Therapeutics.” RSC Advances, 12(2), 1194-1207. https://doi.org/10.1039/D1RA07320A. Impact Factor: 4.0 (2022).
Parate, S., Kumar, V., Hong, J.C., & Lee, K.W. 2021. “Investigation of Marine-Derived Natural Products as Raf Kinase Inhibitory Protein (RKIP)-Binding Ligands.” Marine Drugs, 19(10), 581. https://doi.org/10.3390/md19100581. Impact Factor: 5.118 (2021).
Kumar, V., Parate, S., Thakur, G., Lee, H.S., Ro, Y., Kim, H.J., Kim, M.O., et al. 2021. “Identification of CDK7 Inhibitors from Natural Sources Using Pharmacoinformatics and Molecular Dynamics Simulations.” Biomolecules, 11(9), 1197. https://doi.org/10.3390/biom11091197. Impact Factor: 4.879 (2021).
Danishuddin, Kumar, V., Parate, S., Bahuguna, A., Lee, G., Kim, M.O., & Lee, K.W. 2021. “Development of Machine Learning Models for Accurately Predicting and Ranking the Activity of Lead Molecules to Inhibit PRC2 Dependent Cancer.” Pharmaceuticals, 14(7), 699. https://doi.org/10.3390/ph14070699. Impact Factor: 5.215 (2021).
Kumar, V., Kumar, R., Parate, S., Yoon, S., Lee, G., Kim, D., & Lee, K.W. 2021. “Identification of ACK1 Inhibitors as Anticancer Agents by Using Computer-Aided Drug Designing.” Journal of Molecular Structure, 1235, 130200. https://doi.org/10.1016/j.molstruc.2021.130200. Impact Factor: 3.196 (2021).
Peele, K.A., Kumar, V., Parate, S., Sridhar, K., Lee, K.W., & Venkateswarulu, T.C. 2021. “In Silico Drug Repurposing Using FDA Approved Drugs Against Membrane Protein of SARS-CoV-2.” Journal of Pharmaceutical Sciences, 110(6), 2346-2354. https://doi.org/10.1016/j.xphs.2021.02.002. Impact Factor: 3.616 (2021).
Parate, S., Kumar, V., & Hong, J.C. 2021. “Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics.” International Journal of Molecular Sciences, 22(10), 5311. https://doi.org/10.3390/ijms22105311. Impact Factor: 5.923 (2021).
Verma, A.K., Kumar, V., Singh, S., Goswami, B.C., Camps, I., Sekar, A., Yoon, S., et al. 2021. “Repurposing Potential of Ayurvedic Medicinal Plants Derived Active Principles Against SARS-CoV-2 Associated Target Proteins Revealed by Molecular Docking, Molecular Dynamics.” Biomedicine & Pharmacotherapy, 137, 111356. https://doi.org/10.1016/j.biopha.2021.111356. Impact Factor: 6.529 (2021).
Kumar, V., Parate, S., Yoon, S., Lee, G., & Lee, K.W. 2021. “Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2.” Frontiers in Microbiology, 12, 647295. https://doi.org/10.3389/fmicb.2021.647295. Impact Factor: 6.064 (2021).
Parate, S., Kumar, V., & Hong, J.C. 2021. “Identification of Flavonoids as Putative ROS-1 Kinase Inhibitors Using Pharmacophore Modeling for NSCLC Therapeutics.” Molecules, 26(8), 2114. https://doi.org/10.3390/molecules26082114. Impact Factor: 4.927 (2021).
Parate, S., Kumar, V., Rampogu, S., Hong, J.C., & Lee, K.W. 2021. “Marine-Derived Natural Products as ATP-Competitive mTOR Kinase Inhibitors for Cancer Therapeutics.” Pharmaceuticals, 14(3), 282. https://doi.org/10.3390/ph14030282. Impact Factor: 5.215 (2021).
Kumar, R., & Kumar, V. 2021. “A Computational Drug Repurposing Approach in Identifying the Cephalosporin Antibiotic and Anti-Hepatitis C Drug Derivatives for COVID-19 Treatment.” Computers in Biology and Medicine, 130, 104186. https://doi.org/10.1016/j.compbiomed.2021.104186. Impact Factor: 6.698 (2021).
Idrees, M., Kumar, V., Joo, M.D., Ali, N., Lee, K.W., & Kong, I.K. 2021. “SHP2 Nuclear/Cytoplasmic Trafficking in Granulosa Cells Is Essential for Oocyte Meiotic Resumption and Maturation.” Frontiers in Cell and Developmental Biology, 8, 611503. https://doi.org/10.3389/fcell.2020.611503. Impact Factor: 6.081 (2021).