Douglas Pires

The mutation G133D on Leishmania guyanensis AQP1 is highly destabilizing as revealed by molecular modeling and hypo-osmotic shock assay

Luiza G Tunes, David B Ascher, Douglas E Pires, Rubens L Monte-Neto

Journal article  |  2021  |  BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

The Leishmania aquaglyceroporin 1 (AQP1) plays an important role in osmoregulation and antimony (Sb) uptake, being determinant for..

Structure-guided machine learning prediction of drug resistance mutations in Abelson 1 kinase

Yunzhuo Zhou, Stephanie Portelli, Megan Pat, Carlos HM Rodrigues, Thanh-Binh Nguyen, Douglas EV Pires, David B Ascher

Journal article  |  2021  |  Computational and Structural Biotechnology Journal

TSMDA: Target and symptom-based computational model for miRNA-disease association prediction

Korawich Uthayopas, Alex GC de Sá, Azadeh Alavi, Douglas EV Pires, David B Ascher

Journal article  |  2021  |  Molecular Therapy - Nucleic Acids

pdCSM-cancer: Using Graph-Based Signatures to Identify Small Molecules with Anticancer Properties

Raghad Al-Jarf, Alex GC de Sa, Douglas E Pires, David B Ascher

Journal article  |  2021  |  JOURNAL OF CHEMICAL INFORMATION AND MODELING

The development of new, effective, and safe drugs to treat cancer remains a challenging and time-consuming task due to limited hit..

mmCSM-PPI: predicting the effects of multiple point mutations on protein-protein interactions

Carlos HM Rodrigues, Douglas E Pires, David B Ascher

Journal article  |  2021  |  NUCLEIC ACIDS RESEARCH

Protein-protein interactions play a crucial role in all cellular functions and biological processes and mutations leading to their..

MTR3D: identifying regions within protein tertiary structures under purifying selection

Michael Silk, Douglas E Pires, Carlos HM Rodrigues, Elston N D'Souza, Moshe Olshansky, Natalie Thorne, David B Ascher

Journal article  |  2021  |  NUCLEIC ACIDS RESEARCH

The identification of disease-causal variants is non-trivial. By mapping population variation from over 448,000 exome and genome s..

A comparative analysis of sepsis digital phenotyping methods

Anna Fedyukova, Douglas Pires, Daniel Capurro

Conference Proceedings  |  2021  |  2021 Australasian Computer Science Week Multiconference

Health data captured in Electronic health records (EHRs) have enabled the development of computational approaches to improve patie..

Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource (vol 52, pg 999, 2020)

Stephanie Portelli, Moshe Olshansky, Carlos HM Rodrigues, Elston N D'Souza, Yoochan Myung, Michael Silk, Azadeh Alavi, Douglas EV Pires, David B Ascher

Journal article  |  2021  |  NATURE GENETICS

A Correction to this paper has been published: https://doi.org/10.1038/s41588-020-00775-x.

Distinguishing between PTEN clinical phenotypes through mutation analysis

Stephanie Portelli, Lucy Barr, Alex GC de Sa, Douglas E Pires, David B Ascher

Journal article  |  2021  |  COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL

Phosphate and tensin homolog on chromosome ten (PTEN) germline mutations are associated with an overarching condition known as PTE..

Unveiling six potent and highly selective antileishmanial agents via the open source compound collection 'Pathogen Box' against antimony-sensitive and -resistant Leishmania braziliensis

Juliano A Souza Silva, Luiza G Tunes, Roney S Coimbra, David B Ascher, Douglas E Pires, Rubens L Monte-Neto

Journal article  |  2021  |  BIOMEDICINE & PHARMACOTHERAPY

Despite all efforts to provide new chemical entities to tackle leishmaniases, we are still dependent on a the limited drug arsenal..