BrainMap

Mr. Sorin Avram

Ph.D.

Senior Researcher - INSTITUTUL DE CHIMIE "CORIOLAN DRĂGULESCU"

Researcher | Scientific reviewer

Web of Science ResearcherID: G-6260-2014

Curriculum Vitae (31/01/2019)

Expertise & keywords

Knowledge Management Center for Illuminating the Druggable Genome – 3RDZ5 Call name:
NIH 5U24CA224370-03 2019 - 2023

Role in this project: Partner team leader

Coordinating institution: University of New Mexico

Project partners: University of New Mexico (); INSTITUTUL DE CHIMIE "CORIOLAN DRĂGULESCU" ()

Affiliation: INSTITUTUL DE CHIMIE "CORIOLAN DRĂGULESCU" ()

Project website: https://druggablegenome.net/KMC_UNM

Abstract:

Knowledge Management Center for Illuminating the Druggable Genome (IDG) Consortium, funded by the NIH Common Fund, works on gathering knowledge covering the entire human genome and expanding to model systems. Within this project, the ICT team has been involed in the data curation and development of DrugCentral, an open-access digital database collecting information about approved drugs. At present, DrugCentral (https://drugcentral.org/) hosts high-quality data for more than 5000 drugs, both for human and veterinary use, making it a valuable resource for drug repositioning projects. This database employs a classification system of drugs based on the availability of drugs on the market and their associated intellectual property rights.

Innovative strategies for in silico modelling of promiscuous compounds evaluated in high-throughput screening Call name: Projects for Young Research Teams - RUTE -2014 call
PN-II-RU-TE-2014-4-0422 2015 - 2017

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE

Project partners: INSTITUTUL DE CHIMIE (RO)

Affiliation: INSTITUTUL DE CHIMIE (RO)

Project website: http://www.chembioinf.ro/en/Grants/

Abstract:

Today, high-throughput screening (HTS) has become the standard procedure to test large libraries of compounds against biological targets in early-stage drug and agrochemical discovery. It is now recognized that HTS results are heavily affected by errors due to physico-chemical and biological properties of the molecules embedded in the screening libraries. Such compounds interfere with the assays signal-detection method (fluorescent and reactive compounds, luciferase inhibitors) or form functional aggregates in the assay medium. Consequently, nonspecific or apparent activity against various, unrelated proteins in many HTS assays, generate false-positive results. The aim of this project is to develop a comprehensive methodology to predict promiscuous compounds (frequent hitters, FHs). In this endeavor we will use PubChem Bioassay (>1 million assays), a series of molecular/fragmental descriptors and state-of-the-art modelling algorithms to explore prediction models for highly reactive compounds, fluorescent compounds, luciferase inhibitors and functional aggregators. The most efficient models will establish a first integrative approach to predict FHs, which will further assist decision-making in HTS and accelerate chemical developments. Thus, the current project offers an unprecedented, systematic exploration of the limits of current-state cheminformatics tools to pursue the prediction of FHs.

FILE DESCRIPTION	DOCUMENT
List of research grants as project coordinator or partner team leader	Download (114.01 kb) 01/10/2019
Significant R&D projects for enterprises, as project manager
R&D activities in enterprises
Peer-review activity for international programs/projects