Profacgen, a biotechnology company that provides custom protein services in the biological sciences, now provides a set of virtual screening services, enabling researchers to effectively screen drug design space and identify the most promising candidates.
One of the main goals of biomedical research is the discovery of new pharmaceutical drugs. High-throughput screening (HTS), a conventional approach, entails blind screening of molecules obtained from nature or synthesized in labs, which results in high cost and low hit rate. Virtual screening (VS) has been developed as a potent alternative strategy to quickly identify hit molecules from a set of compounds. By operating on the virtual libraries of compounds, it can decrease the number of compounds that need to be synthesized, purchased, or tested while expanding the chemical space. Already, VS has proven to be a significant phase in early-stage drug discovery. Recently, using cloud computing and enormous collections of compounds, ultra-large VS has also become popular.
For the purpose of identifying hits and leads, Profacgen uses the most cutting-edge VS techniques and software tools. By reducing the size of the chemical library that must be experimentally screened, optimized protocol at Profacgen increases the possibility of discovering ground-breaking hits more quickly and affordably while lowering the likelihood that the lead optimization process will fail due to absorption, distribution, metabolism, excretion, and toxicity deficiencies.
Virtual screening services at Profacgen include, but are not limited to:
Ligand-based virtual screening (LBVS)
Profacgen offers a range of LBVS techniques, such as 2D molecular similarity approaches (based on fingerprints), 3D similarity searches (molecular shape colored or uncolored by physicochemical properties, pharmacophore, and energy fields around the molecules, such as electrostatic properties), machine learning, and 2D/3D QSAR (quantitative structure-activity properties) modeling.
Structure-based virtual screening (SBVS)
Profacgen provides highly efficient SBVS services by fast and accurate molecular docking and scoring procedures.
Hybrid methods
Profacgen offers a variety of hierarchical, parallel, and hybrid integration strategies for ligand- and structure-based virtual screening methods.
3D-QSAR
Profacgen provides 3D-QSAR pipeline that enables researchers to effectively perform force field calculations requiring three-dimensional structures of a training set.
Quantum Mechanics/Chemistry in Drug Design
In order to more accurately understand protein-ligand interactions, Profacgen offers a QM calculation service to describe the protein system, including ligands and solvent.
Profacgen provides protein-ligand docking, protein-protein docking, protein-nucleic acid docking, antibody-antigen docking, protein-peptide docking, protein–carbohydrate docking, and protein–Lipid docking for various purpose.
ADME/Tox Prediction
Quantum Mechanics/Chemistry in Drug Design
“Our virtual screening protocol can be highly customizable according to your specific requirements. We are dedicated to helping researchers explore, understand and analyze complex biological data in a variety of biotechnological programs and projects.” Said Crystal, the chief marketing staff at Profacgen.
To know more details about the virtual screening services provided by Profacgen, please visit https://www.profacgen.com/computer-aided-drug-design.htm.
Media Contact
Company Name: Profacgen
Contact Person: Ellen Burns
Email: Send Email
Phone: 1-516-855-7709
Country: United States
Website: https://www.profacgen.com/