Research

  • Molecular mechanism of the spliceosome and discovery of splicing modulators

Precursor messenger RNA splicing is orchestrated by the spliceosome machinery. All-atom simulations are used to unravel the fundamental mechanism underlying splicing in eukaryotes, to understand the molecular basis of constitutive and alternative splicing, the role of cancer associated mutations, and to develop small molecule inhibitors targeting relevant splicing factor. Read more.

  • Unraveling the molecular basis of copper transport and developing Cu-compounds for theranostic applications

Copper plays a vital role in fundamental cellular functions, and its concentration in the cell must be tightly regulated, as dysfunction of copper homeostasis is linked to severe neurological diseases and cancer. In this project we aim at unraveling the mechanism of in cell Cu(I) uptake and distribution via all atom simulations at classical and quantum-classical level to design novel radioactive compound for diagnostic and therapeutic purposes. Read more.

  • Developing small-molecule Inhibitors of Acting Cytoskeleton Regulators to Block Motility and invasion of Glioblastoma

Glioblastoma is the most prevalent and aggressive malignant brain tumor in adults. Glioblastoma cell-motility is strictly controlled by an entangled network of interacting proteins and signaling cascades, whose deregulation contributes to cancer progression and malignancy. We focus on prominent members of this intricate network such as selected Rho GTPases (Cdc42, Rac1, RhoA) proteins, the Arp2/3 machinery, as well on the the secondary-active Na–K–Cl cotransporter 1 (NKCC1). Read more.

  • Molecular mechanism of Breast Cancer Onset and Discovery of Novel Therapies

About 70 % of breast cancers are estrogen receptor (ER) positive. In post-menopausal women estrogens, synthesized primarily by human aromatase (HA) enzyme, exert a pro-oncogenic effect by binding and activating ERα. In this project we have characterized the mechanism of the HA enzyme and the impact of mutations conferring resistance to selective estrogen receptor modulators. Read more.

  • Molecular Mechanism of Pathogen-Induced plant plasma membrane damage

(Nep1)-like proteins (NLPs) are widespread among many microorganisms infecting lots of important crops with a large economic burden. We aim to alleviate NLP toxicity by understanding the mechanism of membrane damage and develop biocompatible strategies to contrast their action. Read more.