Bacterial resistance is one of the rising problems that needs to be addressed. To combat the antibiotic resistance of bacteria it is necessary to identify novel antibacterial agents by targeting novel pathways such as virulence and pathogenicity.
My main interest is to validate novel targets involved in bacterial virulence, metabolism, and growth using computational approaches. Additionally we are interested in fundamental biology of bacterial metabolism and virulence during infections. Our current focus is on Pseudomonas aeruginosa, an opportunistic pathogen.
We are happy to collaborate with other groups to utilise molecular modelling approaches such as docking, virtual screening, QSAR model development, Machine learning models, and Molecular Dynamics (MD) to understand the protein-small molecule interactions and binding mechanisms.
If you are interested for any Master’s projects or would like to pursue Doctoral studies in the field of antibacterial targets (proteins) or Molecular Modelling, please feel free to write to me.
Article related to our research
Press Release of Research
Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology ModelsMedarametla, Prasanthi; Kronenberger, Thales; Laitinen, Tuomo; Poso, Antti. 2021. Journal of chemical information and modeling. 61: 1346-1353
Identification and Design of New Antibacterial Agents Using Computational ApproachesMedarametla, Prasanthi. 2020. Publications of the University of Eastern Finland. Dissertations in Health Sciences
DPD-Inspired Discovery of Novel LsrK Kinase Inhibitors: An Opportunity To Fight Antimicrobial ResistanceStotani, Silvia; Gatta, Viviana; Medarametla, Prasanthi; Padmanaban, Mohan; Karawajczyk, Anna; Giordanetto, Fabrizio; Tammela, Päivi; Laitinen, Tuomo; Poso, Antti; Tzalis, Dimitros; Collina, Simona. 2019. Journal of medicinal chemistry. 62: 2720-2737
Molecular Modelling Approaches to Antibacterial Drug Design and DiscoveryKaczor, Agnieszka A; Medarametla, Prasanthi; Bartuzi, Damian; Kondej, Magdalena; Matosiuk, Dariusz; Poso, Antti. Teoksessa: Rahman, Atta-ur; Choudhary, Iqbal M(toim.) , 2018. Frontiers in Anti-Infective Drug Discovery. s. 153-222. Bentham science publishers
Structure-based virtual screening of LsrK kinase inhibitors to target quorum sensingMedarametla, Prasanthi; Gatta, Viviana; Kajander, Tommi; Laitinen, Tuomo; Tammela, Päivi; Poso Antti. 2018. Chemmedchem. 13: 2400-2407
A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosisJanardhan S, John L, Prasanthi M, Poroikov V, Narahari Sastry G. 2017. Sar and qsar in environmental research. 28: 815-832
Structural and Functional Characterization of Malate Synthase G from Opportunistic Pathogen Pseudomonas aeruginosaMcVey Alyssa C, Medarametla Prasanthi, Chee Xavier, Bartlett Sean, Poso Antti, Spring David R, Rahman Taufiq, Welch Martin. 2017. Biochemistry. 56: 5539-5549