Synthesis and structural characterization of new benzylidene glycosides, cytotoxicity against cancer cell lines and molecular modeling studies

Drug resistance and tolerance in fungi

(2020) Judith Berman et al.   NATURE REVIEWS MICROBIOLOGY

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

(2019) Antoine Daina et al.   NUCLEIC ACIDS RESEARCH

Anti-oxidant and anti-inflammatory effects of cinnamaldehyde and eugenol on mononuclear cells of rheumatoid arthritis patients

(2019) Somaiya Mateen et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Antifungal activity and mechanism of citral, limonene and eugenol against Zygosaccharomyces rouxii

(2019) Rui Cai et al.   LWT-FOOD SCIENCE AND TECHNOLOGY

Synthesis of tigogenin MeON-Neoglycosides and their antitumor activity

(2018) Guo-Long Li et al.   FITOTERAPIA

OUP accepted manuscript

(2018)   MEDICAL MYCOLOGY

Capillary zone electrophoresis method to assay tipranavir capsules and identification of oxidation product and organic impurity by quadrupole-time of flight mass spectrometry

(2018) Matheus Wagner Lago et al.   TALANTA

SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening

(2016) Vincent Zoete et al.   Journal of Chemical Information and Modeling

New Eugenol Glucoside-based Derivative Shows Fungistatic and Fungicidal Activity against OpportunisticCandida glabrata

(2015) Thiago Belarmino de Souza et al.   Chemical Biology & Drug Design

Synthesis and characterization of redox non-innocent cobalt(III) complexes of a O,N,O donor ligand: Radical generation, semi-conductivity, antibacterial and anticancer activities

(2015) Pritam Ghosh et al.   INORGANICA CHIMICA ACTA

Charting a Path to Success in Virtual Screening

(2015) Stefano Forli   MOLECULES

Influence of Sugar Amine Regiochemistry on Digitoxigenin Neoglycoside Anticancer Activity

(2015) Jianjun Zhang et al.   ACS Medicinal Chemistry Letters

Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

(2015) Dávid Bajusz et al.   Journal of Cheminformatics

Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening

(2014) Karen T. Schomburg et al.   Journal of Chemical Information and Modeling

Neoglycosylation and neoglycorandomization: enabling tools for the discovery of novel glycosylated bioactive probes and early stage leads

(2014) Randal D. Goff et al.   MedChemComm

Shaping the interaction landscape of bioactive molecules

(2013) David Gfeller et al.   BIOINFORMATICS

Chemistry and Antiviral Activity of Arrabidaea pulchra (Bignoniaceae)

(2013) Geraldo Brandão et al.   MOLECULES

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Structural Basis of Type II Topoisomerase Inhibition by the Anticancer Drug Etoposide

(2011) C.-C. Wu et al.   SCIENCE