Sorin Draga
A5054616155- Computational Drug Discovery Methods
- RNA and protein synthesis mechanisms
- Mosquito-borne diseases and control
- Receptor Mechanisms and Signaling
- Herpesvirus Infections and Treatments
- Pharmaceutical and Antibiotic Environmental Impacts
- Microplastics and Plastic Pollution
- Analytical Chemistry and Chromatography
- Protein Structure and Dynamics
- Bacterial Genetics and Biotechnology
- Effects and risks of endocrine disrupting chemicals
- Neurobiology and Insect Physiology Research
- Genomics and Chromatin Dynamics
- Insect Utilization and Effects
- Cytomegalovirus and herpesvirus research
- Insect Resistance and Genetics
Virtual Corporation (United States)
2024
University of Bucharest
2020
The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field computational hit-finding. Here we report results inaugural challenge which 23 teams each selected up 100 commercially available compounds that they predicted would bind WDR domain Parkinson's disease target LRRK2, with no known ligand and only an apo structure PDB. lack binding data presumably low druggability is hit finding methods. Of 1955 molecules by participants Round 1 challenge,...
The link between different plastic waste pollutants and their impact on the natural aquatic environment food chain remains a constant growing issue. Bisphenol A (BPA), known endocrine disruptor produced in large quantities primarily industry of polycarbonate plastics, can accumulate vegetal animal tissue, thus magnifying through trophic levels. In this study we exposed viable specimens plant Lemna minor under controlled conditions to 50, 100 200 ppm BPA levels order partially observe toxic...
ABSTRACT The CACHE challenges are a series of prospective benchmarking exercises meant to evaluate progress in the field computational hit-finding. Here we report results inaugural #1 challenge which 23 teams each selected up 100 commercially available compounds that they predicted would bind WDR domain Parkinson’s disease target LRRK2, with no known ligand and only an apo structure PDB. lack binding data presumably low druggability is hit finding methods. Seventy-three 1955 procured...
Human cytomegalovirus (HCMV) is an important pathogen for which new antiviral drugs are needed. HCMV, like other herpesviruses, encodes a nuclear egress complex (NEC) composed of two subunits, UL50 and UL53, whose interaction crucial viral replication. To explore whether small molecules can exert selective activity by inhibiting NEC subunit interactions, we established homogeneous time-resolved fluorescence (HTRF) assay these interactions used it to screen >200,000 compound-containing wells....
Background: The human serotonin transporter is an important drug target for the treatment of various medical conditions which depression most important, but also include attention deficit hyperactivity disorder, schizophrenia, social anxiety disorder and irritable bowel syndrome, among others. transmembrane portion has been studied extensively was first crystalized in 2016. However, dynamical nature N-terminal segment protein its post-translational modifications remain insufficiently...
Objective: We aim to evaluate the potential interaction of two insect hemolymph peptides, MDF3 and MDF4, with human androgen receptor, on premise that proliferative effects peptides are (at least in part) a consequence AR binding. Methods: employed bioinformatic approach for prediction protein-peptide peptide aggregation, using various silico on-line tools such as docking servers, aggregation servers visualization analysis software order our results. Results: Our evaluation indicates MDF4...