title: Computational modeling in melanoma for novel drug discovery.
abstract: BACKGROUND
  There is a growing body of evidence highlighting the applications of computational modeling in the field of biomedicine. It has recently been applied to the in silico analysis of cancer dynamics. In the era of precision medicine, this analysis may allow the discovery of new molecular targets useful for the design of novel therapies and for overcoming resistance to anticancer drugs. According to its molecular behavior, melanoma represents an interesting tumor model in which computational modeling can be applied. Melanoma is an aggressive tumor of the skin with a poor prognosis for patients with advanced disease as it is resistant to current therapeutic approaches.
  
  
  METHODS
  This review discusses the basics of computational modeling in melanoma drug discovery and development. Discussion includes the in silico discovery of novel molecular drug targets, the optimization of immunotherapies and personalized medicine trials.
  
  
  CONCLUSIONS
  Mathematical and computational models are gradually being used to help understand biomedical data produced by high-throughput analysis. The use of advanced computer models allowing the simulation of complex biological processes provides hypotheses and supports experimental design. The research in fighting aggressive cancers, such as melanoma, is making great strides. Computational models represent the key component to complement these efforts. Due to the combinatorial complexity of new drug discovery, a systematic approach based only on experimentation is not possible. Computational and mathematical models are necessary for bringing cancer drug discovery into the era of omics, big data and personalized medicine.
authors.affiliation: a Department of Mathematics and Computer Science , University of Catania , Catania , Italy.
authors.forename: Marzio
authors.initials: M
authors.lastname: Pennisi
authors.affiliation: b Department of Biomedical and Biotechnological Sciences , University of Catania , Catania , Italy.
authors.forename: Giulia
authors.initials: G
authors.lastname: Russo
authors.affiliation: c Researcher at National Research Council , Institute of Neurological Sciences , Catania , Italy.
authors.forename: Valentina
authors.initials: V
authors.lastname: Di Salvatore
authors.affiliation: b Department of Biomedical and Biotechnological Sciences , University of Catania , Catania , Italy.
authors.forename: Saverio
authors.initials: S
authors.lastname: Candido
authors.affiliation: b Department of Biomedical and Biotechnological Sciences , University of Catania , Catania , Italy.
authors.forename: Massimo
authors.initials: M
authors.lastname: Libra
authors.affiliation: d Department of Drug Sciences , University of Catania , Catania , Italy.
authors.forename: Francesco
authors.initials: F
authors.lastname: Pappalardo
mesh_terms: D000818:Animals; D000970:Antineoplastic Agents / Q000494:pharmacology*; D003198:Computer Simulation; D055808:Drug Discovery / Q000379:methods; D057166:High-Throughput Screening Assays; D006801:Humans; D008545:Melanoma / Q000188:drug therapy* / Q000473:pathology; D008962:Models, Theoretical; D058990:Molecular Targeted Therapy; D057285:Precision Medicine; D012878:Skin Neoplasms / Q000188:drug therapy* / Q000473:pathology
chemical_list: D000970:Antineoplastic Agents
keywords: Computational modeling; in silico drug discovery; melanoma; systems biology