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Biography
I am a Senior researcher at Turku Cellular Microbiology Laboratory (TCML), Institute of Biomedicine, University of Turku. My area of expertise includes virtual screening and chemoinformatics, structure and ligand-based drug design, Molecular dynamics (MD) simulation of protein-ligand complexes, membranes, polymer and nanoparticle modeling and its simulations, DFT calculations of small molecules, recombinant protein expression, protein purification by reverse-phase, affinity and size exclusion chromatography, protein stability and folding analysis, in-vitro ligand screening, protein crystallization, nanoparticle fabrication and its characterization, small molecule and oligonucleotide synthesis and characterisation by FTIR, NMR and mass spectrometry. Apart from my research experience I have 8 years of teaching experience at undergraduate level.
Research
Past publications:
Moussaoui, O., Rajendra, B., Sghyar, R., Ilaš, J., El Hadrami, E. M., Chakroune, S., & Salo-Ahen, O. (2022). Design, synthesis, in vitro and in silico characterization of new 2-quinolone-L-alaninate-1,2,3-triazoles as novel antimicrobial agents. ChemMedChem, 17(5), [e202100714]. https://doi.org/10.1002/cmdc.202100714
Ali, A., Bhadane, R., Asl, A. A., Wilén, C-E., Salo-Ahen, O., Rosenholm, J. M., & Bansal, K. K. (2022). Functional block copolymer micelles based on poly (jasmine lactone) for improving the loading efficiency of weakly basic drugs. RSC Advances, 12, 26763-26775. https://doi.org/10.1039/D2RA03962A
Rajendra, B., & Salo-Ahen, O. (2022). High-Throughput Molecular Dynamics-Based Alchemical Free Energy Calculations for Predicting the Binding Free Energy Change Associated with the Selected Omicron Mutations in the Spike Receptor-Binding Domain of SARS-CoV-2. Biomedicines, 10(11), [2779]. https://urn.fi/URN:NBN:fi-fe2022112366535
Kumar, S., Bhadane, R., Shandilya, S., Salo-Ahen, O. M. H., & Kapila, S. (2022). Identification of HPr kinase/phosphorylase inhibitors: novel antimicrobials against resistant Enterococcus faecalis. Journal of Computer-Aided Molecular Design, 36(7), 507-520. https://doi.org/10.1007/s10822-022-00461-6
Fu, J., Han, W., Zhang, X., Sun, Y., Bhadane, R., Wei, B., Li, L., Yu, L., Yang, J., Rosenholm, J. M., Salo-Ahen, O. M. H., Fan, T., Zhang, B., Swelm, W., Al-Ghamdi, A. A., Xia, L., Zhang, H., Qiu, M., Zhang, H., & Wang, X. (2022). Silica Nanoparticles with Virus-Mimetic Spikes Enable Efficient siRNA Delivery In Vitro and In Vivo. Research. https://doi.org/10.34133/research.0014
Pyrhönen, J., Bansal, K. K., Bhadane, R., Wilén, C-E., Salo-Ahen, O. M. H., & Rosenholm, J. M. (2021). Molecular Dynamics Prediction Verified by Experimental Evaluation of the Solubility of Different Drugs in Poly(decalactone) for the Fabrication of Polymeric Nanoemulsions. Advanced NanoBiomed Research, 2(1), [2100072]. https://doi.org/10.1002/anbr.202100072
Mishra, G. P., Bhadane, R., Panigrahi, D., Amawi, H. A., Asbhy Jr., C. R., & Tiwari, A. K. (2021). The Interaction of the bioflavonoids with five SARS-CoV-2 proteins targets: An in silico study. Computers in Biology and Medicine, 134, [104464]. https://doi.org/10.1016/j.compbiomed.2021.104464
Salo-Ahen, O., Alanko, I., Rajendra, B., Bonvin, A. M. J. J., Vargas Honorato, R., Hossain, S., Juffer, A., Kabedev, A., Lahtela-Kakkonen, M., Larsen, A. S., Lescrinier, E., Marimuthu, P., Mirza, M. U., Mustafa, G., Nunes-Alves, A., Pantsar, T., Saadabadi, A., Singaravelu, K., & Vanmeert, M. (2020). Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development. Processes, 9(1), [71]. https://doi.org/10.3390/pr9010071
Moussaoui, O., Rajendra, B., Sghyar, R., El Hadrami, E. M., El Amrani, S., Ben Tama, A., Kandri Rodi, Y., Chakroune, S., & Salo-Ahen, O. (2020). Novel Amino Acid Derivatives of Quinolines as Potential Antibacterial and Fluorophore Agents. Scientia Pharmaceutica, 88(4), [57]. https://doi.org/10.3390/scipharm88040057
Alamri, MA., ul Qamar M, T., Mirza, MU., Bhadane, R., Alqahtani, SM., Muneer, I., Froeyen, M., & Salo-Ahen, O. (2020). Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro. Journal of Biomolecular Structure and Dynamics, –. https://doi.org/10.1080/07391102.2020.1782768
Bhadane, R. N., Meshram, D. B., & Gilhotra, R. M. (2017). Structure-based design and evaluation of synthetic porphyrin derivatives as G-quadruplex stabilizing anticancer agents. Journal of Experimental Therapeutics and Oncology, 12(2), 103-111.