A Computational Approach in the Search of New Biologically Active 9,10-Anthraquinone Derivatives

EasyChair Preprint no. 4264

Abstract

The results of using a computer approach in the search for new potential biologically active compounds in a series of 9,10-anthraquinone derivatives using free online programs PASS Online, CLC-Pred (Cell Line Cytotoxicity Predictor), Acute Rat Toxicity and determining the level of binding of the studied structures of anthraquinones with target proteins using the Schrodinger software package are generalized. The directions of experimental primary assessment of antimicrobial, antiplatelet, antioxidant, antiviral, anticonvulsant, antitumor action for selected objects of research are determined. Molecular docking shows the prospects for studies of the mechanisms of anticancer and antiplatelet agents

Keyphrases: 9.10-anthraquinone derivatives, biological action, in silico prediction

@Booklet{EasyChair:4264,
  author = {Maryna Stasevych and Viktor Zvarych and Volodymyr Novikov},
  title = {A Computational Approach in the Search of New Biologically Active 9,10-Anthraquinone Derivatives},
  howpublished = {EasyChair Preprint no. 4264},

  year = {EasyChair, 2020}}