Biography
Personal Summary
• Experienced in computational chemistry and biophysical methods for biomolecular systems and drug discovery (cheminformatics, virtual screening, molecular docking, MD simulation, FEP, QM, DFT)
• Over 7 years academic experience as a PhD graduate student (4 years) in computer-aided drug design of oncological targets, as a post-doctoral fellow (~3 years) in large-scale simulation, molecular modeling of membrane proteins and proton channels
• Over 7 years industrial experience in computational chemistry and molecular modeling in both Big Pharma and Small Biotech, impacting on the development of small molecule inhibitors of HDAC (in clinical trials for non-melanoma skin cancer) and HSP90 (advanced into preclinical development)
• Developed new methods for molecular recognition in virtual screening and scaffold hopping
• Developed new methods for fragment-based chemical library design
• Developed new bioinformatics tools for multiple sequence alignments of protein families
Courses Taught
Number | Name | Level |
|---|---|---|
SCTC 1001 | CST First Year Seminar | Undergraduate |
Selected Publications
Recent
Yazici, A., Gianti, E., Kasimova, M., Lee, B., Carnevale, V., & Rohacs, T. (2021). Dual regulation of TRPV1 channels by phosphatidylinositol via functionally distinct binding sites. Journal of Biological Chemistry, 296. doi: 10.1016/j.jbc.2021.100573.
Chernov-Rogan, T., Gianti, E., Liu, C., Villemure, E., Cridland, A., Hu, X., Ballini, E., Lange, W., Deisemann, H., Li, T., Ward, S., Hackos, D., Magnuson, S., Safina, B., Klein, M., Volgraf, M., Carnevale, V., & Chen, J. (2020). Erratum: TRPA1 modulation by piperidine carboxamides suggests an evolutionarily conserved binding site and gating mechanism (Proceedings of the National Academy of Sciences of the United States of America (2019) 116 (26008–26019) DOI: 10.1073/pnas.1913929116). Proceedings of the National Academy of Sciences of the United States of America, 117(4), 2226-2227. doi: 10.1073/pnas.1922373117.
Chernov-Rogan, T., Gianti, E., Liu, C., Villemure, E., Cridland, A., Hu, X., Ballini, E., Lange, W., Deisemann, H., Li, T., Ward, S., Hackos, D., Magnuson, S., Safina, B., Klein, M., Volgraf, M., Carnevale, V., & Chen, J. (2019). TRPA1 modulation by piperidine carboxamides suggests an evolutionarily conserved binding site and gating mechanism. Proceedings of the National Academy of Sciences of the United States of America, 116(51), 26008-26019. doi: 10.1073/pnas.1913929116.
Yazici, A.T., Gianti, E., Kasimova, M.A., Carnevale, V., & Rohacs, T. (2019). Phosphatidylinositol Inhibits TRPV1 via its Vanilloid Binding Site. BIOPHYSICAL JOURNAL, 116(3), 536A-536A. Retrieved from http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000460779802695&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=abcd71df5a6dac31fd219478b0a9c638.
Gianti, E., Klein, M.L., Rohacs, T., & Carnevale, V. (2019). Activation of TRPV1 by Lipids: Can Lipid Tails Bridge the Gap between the Vanilloid Binding Site and the Peripheral Cavities? BIOPHYSICAL JOURNAL, 116(3), 536A-536A. 10.1016/j.bpj.2018.11.2885
Sariyer, I., Gordon, J., Burdo, T., Wollebo, H., Gianti, E., Donadoni, M., Bellizzi, A., Cicalese, S., Loomis, R., Robinson, J., Carnevale, V., Steiner, J., Ozdener, M., Miller, A., Amini, S., Klein, M., & Khalili, K. (2019). Suppression of Zika Virus Infection in the Brain by the Antiretroviral Drug Rilpivirine. Molecular Therapy. doi: 10.1016/j.ymthe.2019.10.006.
Gianti, E., Klein, M., Rohacs, T., & Carnevale, V. (2018). Molecular Insights into TRPV1 Polymodal Activation: Is Allosteric Coupling between the Toxin and the Vanilloid Binding Sites Mediated by Annular Lipids? BIOPHYSICAL JOURNAL, 114(3), 396A-396A. 10.1016/j.bpj.2017.11.2190
Gianti, E. & Carnevale, V. (2018). Computational Approaches to Studying Voltage-Gated Ion Channel Modulation by General Anesthetics. doi: 10.1016/bs.mie.2018.01.002.
Woll, K., Skinner, K., Gianti, E., Bhanu, N., Garcia, B., Carnevale, V., Eckenhoff, R., & Gaudet, R. (2017). Sites Contributing to TRPA1 Activation by the Anesthetic Propofol Identified by Photoaffinity Labeling. Biophysical Journal, 113(10), 2168-2172. doi: 10.1016/j.bpj.2017.08.040.
Keulen, S.V., Gianti, E., Carnevale, V., Klein, M., Rothlisberger, U., & Delemotte, L. (2017). Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues? Journal of Physical Chemistry B, 121(15), 3340-3351. doi: 10.1021/acs.jpcb.6b08339.
Gianti, E., Delemotte, L., Klein, M., & Carnevale, V. (2017). Exploiting water density fluctuations in ion channel drug design. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 253. Retrieved from http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000430568507653&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=abcd71df5a6dac31fd219478b0a9c638.
Gianti, E., Fiorin, G., Klein, M., & Zauhar, R. (2017). Ligand- and receptor-based virtual screening for inhibitors of the signal transducer and activator of transcription 5 (STAT5). ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 253. Retrieved from http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000430568507435&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=abcd71df5a6dac31fd219478b0a9c638.
Delemotte, L., Keulen, S.v., Roethlisberger, U., Gianti, E., Carnevale, V., & Klein, M.L. (2017). Does Proton Conduction in the Voltage-Gated Proton Channel hH(V)1 Involve Grotthus Hopping via Acidic Residues? BIOPHYSICAL JOURNAL, 112(3), 163A-164A. 10.1016/j.bpj.2016.11.899