Melissa F. Adasme

Melissa F. Adasme
EMBL-EBI | EBI · ChEMBL Team

Dr.-Ing. in Computer Science / Dipl.-Ing. in Bioinformatics

About

30
Publications
7,968
Reads
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1,431
Citations
Additional affiliations
October 2018 - February 2020
Technische Universität Dresden
Position
  • Lecturer
Description
  • Programming for bioinformatics lectures for Molekulare Biotechnologie (bachelor)
October 2017 - December 2020
Technische Universität Dresden
Position
  • PhD Student
Description
  • Intelligent Systems tutorials for Computer science (bachelor and diplom)
October 2016 - February 2017
Technische Universität Dresden
Position
  • PhD Student
Description
  • Programming for Bioinformatics tutorials for Molekulare Biotechnologie (Bachelor)
Education
April 2017 - July 2020
Technische Universität Dresden
Field of study
  • Bioinformatics
August 2014 - August 2015
Technische Universität Dresden
Field of study
  • Biology
April 2010 - August 2016
Universidad de Talca
Field of study
  • Bioinformatics engineering

Publications

Publications (30)
Article
Full-text available
Background Structure-based drug repositioning has emerged as a promising alternative to conventional drug development. Regardless of the many success stories reported over the past years and the novel breakthroughs on the AI-based system AlphaFold for structure prediction, the availability of structural data for protein–drug complexes remains very...
Article
Full-text available
With the growth of protein structure data, the analysis of molecular interactions between ligands and their target molecules is gaining importance. PLIP, the protein–ligand interaction profiler, detects and visualises these interactions and provides data in formats suitable for further processing. PLIP has proven very successful in applications ran...
Article
Pan-assay interference compounds (PAINS) are promiscuous compound classes that produce false positive hits in high-throughput screenings. Yet, the mechanisms of PAINS activity are poorly understood. Although PAINS are often associated with protein reactivity, several recent studies have shown that they also mediate noncovalent interactions. Aiming...
Article
Full-text available
Chagas disease, caused by the parasite Trypanosoma cruzi, affects millions of people in South America. The current treatments are limited, have severe side effects, and are only partially effective. Drug repositioning, defined as finding new indications for already approved drugs, has the potential to provide new therapeutic options for Chagas. In...
Article
Full-text available
Chagas disease, caused by the parasite Trypanosoma cruzi, affects millions of people in South America. The current treatments are limited, have severe side effects, and are only partially effective. Drug repositioning, defined as finding new indications for already approved drugs, has the potential to provide new therapeutic options for Chagas. In...
Article
Full-text available
Many drugs are promiscuous and bind to multiple targets. On the one hand, these targets may be linked to unwanted side effects, but on the other, they may achieve a combined desired effect (polypharmacology) or represent multiple diseases (drug repositioning). With the growth of 3D structures of drug-target complexes, it is today possible to study...
Article
Full-text available
Drug repositioning aims to find new indications for existing drugs in order to reduce drug development cost and time. Currently,there are numerous stories of successful drug repositioning that have been reported and many repurposed drugs are already available on the market. Although drug repositioning is often a product of serendipity, repositionin...
Article
Drug repositioning, the assignment of new therapeutic purposes to known drugs, is an established strategy with many repurposed drugs on the market and many more at experimental stage. We review three use cases, a herpes drug with benefits in cancer, a cancer drug with potential in autoimmune disease, and a selective and an unspecific drug binding t...
Preprint
Full-text available
Drug repositioning aims to find new indications for existing drugs, in order to reduce drug development cost and time. Currently, numerous successful stories of drug repositioning have been reported and many drugs are already available on the market. Although many of those cases are products of serendipitous findings, repositioning opportunities ca...
Poster
Full-text available
Drug repositioning aims to identify new indications for known drugs. With the growth of 3D structures of drug-target complexes, it is today possible to study drug promiscuity at the structural level and to screen vast amounts of drug-target interactions to predict side effects, polypharmacological potential, and repositioning opportunities. Here, w...
Preprint
Full-text available
Many drugs are promiscuous and bind to multiple targets. On the one hand, these targets may be linked to unwanted side effects, but on the other, they may achieve a combined desired effect (polypharmacology) or represent multiple diseases (drug repositioning). With the growth of 3D structures of drug-target complexes, it is today possible to study...
Article
Full-text available
Cancer cells can switch between signaling pathways to regulate growth under different conditions. In the tumor microenvironment, this likely helps them evade therapies that target specific pathways. We must identify all possible states and utilize them in drug screening programs. One such state is characterized by expression of the transcription fa...
Poster
Full-text available
Drug resistance is an important open problem in cancer treatment. HSP27 (HSPB1) is overexpressed in many cancer types and is a key player driving resistance development. Brivudine drug is known to bind and inhibit Hsp27 (Figure 1.A), therefore we exploited the interactions patterns defining Brivudine binding mode in order to find approved drugs abl...
Article
Full-text available
Drug repositioning identifies new indications for known drugs. Here we report repositioning of the malaria drug amodiaquine as a potential anti-cancer agent. While most repositioning efforts emerge through serendipity, we have devised a computational approach, which exploits interaction patterns shared between compounds. As a test case, we took the...
Article
Full-text available
The characterization of interactions in protein-ligand complexes is essential for research in structural bioinformatics, drug discovery and biology. However, comprehensive tools are not freely available to the research community. Here, we present the protein-ligand interaction profiler (PLIP), a novel web service for fully automated detection and v...

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Projects

Projects (3)
Project
An overview of the structure-based drug repositioning considering current state, potentials and limitations to consider in future works.
Project
Identify known and new inhibitors related to B-cells inactivation
Archived project
Drug resistance is an important open problem in cancer treatment. HSP27 (HSPB1) is overexpressed in many cancer types and is a key player driving resistance development. Brivudine drug is known to bind and inhibit Hsp27, therefore the aim of this project is to exploit the interactions patterns defining Brivudine binding mode in order to find approved drugs able to inhibit HSP27 as well.