Hajar Sirous

Identification of Novel 3-Hydroxy-pyran-4-One Derivatives as Potent HIV-1 Integrase Inhibitors Using in silico Structure-Based Combinatorial Library Design Approach

Hajar Sirous, Giulia Chemi, Sandra Gemma et al. · Frontiers in Chemistry · 2019 · 50 citations · Full text

An integrated in silico screening strategy for identifying promising disruptors of p53-MDM2 interaction

Hajar Sirous, Giulia Chemi, Giuseppe Campiani et al. · Computational Biology and Chemistry · 2019 · 47 citations · Full text

Tumor Biology, Silico Screening Strategy, P53-mdm2 Interaction +9

Discovery of novel hit compounds as potential HDAC1 inhibitors: The case of ligand- and structure-based virtual screening

Hajar Sirous, Giuseppe Campiani, Vincenzo Calderone et al. · Computers in Biology and Medicine · 2021 · 38 citations · Full text

Medicinal Chemistry, Virtual Screening, Hit Identification +12

Amyloid β fibril disruption by oleuropein aglycone: long-time molecular dynamics simulation to gain insight into the mechanism of action of this polyphenol from extra virgin olive oil

Simone Brogi, Hajar Sirous, Vincenzo Calderone et al. · Food & Function · 2020 · 37 citations

Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 Inhibitors

Hajar Sirous, Giuseppe Campiani, Simone Brogi et al. · Molecules · 2020 · 28 citations · Full text