David Kombo Email & Phone Number

Boston, MA, US

Paris, France, FR

CADD Support to various Drug Discovery Projects, as a Full-Time employee at Sanofi, Waltham site.

Wayne, PA, US

Provide Computer-Aided Drug Design (CADD) services on site to support various drug discovery projects as a contractor at Sanofi, Waltham, MA

• Using Pipeline Pilot and Perl scripting, built workflows to: analyze commercial HTS datasets, design filters for physico-chemical properties, structural alerts, chemical diversity and novelty to assist compound.
• Carried out structure-based design, using software products from Schrodinger and Biovia: Molecular dynamics simulation. Docking (both non-covalent and covalent) and scoring. Homology modeling of CFTR ion channels..
• Applied ligand-based design techniques (QSAR, pharmacophore modeling, shape, machine learning, quantum mechanics) to tackle potency, selectivity and ADME-TOX issues.
• Ligand-based virtual screening, using tools from OpenEye Scientific.
• De novo design of NCEs and scaffold hoping, using Pipeline Pilot and OpenEye tools.
• RNAseq and multiplex gene expression data analysis using bioinformatics tools such as WGCNA, GSEA, and CMAP for target identification and validation.

Winston-Salem, NC, US

Worked within this time frame as a consultant for molecular modeling and cheminformatics; and carried out original research on CNS drug design, compound selection, drugability, clinical success forecasting, drug re-positioning.

• Searched for funding opportunities and wrote grants applications as Principal Investigator. Submitted NIH grant proposals.
• Drove the corporate vision of the proprietary informatics and molecular modeling suite of programs to speed up drug discovery.
• Involved in developing the business plan, designing and implementing data acquisition and extramural collaboration strategies, and writing research articles. Started a collaboration with an academic world expert in.

Winston-Salem, NC, US

• Built homology models of nAChRs subtypes for ligand docking and developed both QSAR and pharmacophore models for predicting binding and functional activity.
• Carried out virtual screening using both structure-based and ligand-based models for scaffold hopping purpose.
• Conceived the idea for, led, and significantly contributed to the development of an algorithm on multi-parameter optimization to assist indication-driven compound selection (IDCS) in collaboration with the informatics.
• Successfully contributed in applying IDCS in the PD project, which resulted in the discovery of TC-08831.
• Spearheaded and contributed to software engineering of 7 proprietary modules (IDCS-ADME-TOX, off-target activity profiler, off-target proteomic viewer, Hyposcan, Chemical Invention Workbench, Data mining and.
• Cross-functional team leadership: founded and led a cross-functional and multidisciplinary team (made of 14 colleagues) working on Competitive Intelligence Database.

San Antonio, Texas, US

• Cross-functional team management: Set up research objectives, timelines, endpoints, and resource allocation as cross-functional project team leader; and performed QSAR and Pharmacophore modeling studies.
• Performed pharmacophore-based 3D database search and docking-based virtual screening of external chemical libraries in a quest for potential small molecules inhibitors of protein-protein interactions in the BCL2 project.
• Carried out Molecular Dynamics simulation of proteins, DNA, and their complexes with ligands.

Middletown, CT, US

Carried out postdoctoral research using molecular mechanics, monte Carlo simulation, molecular dynamics simulation of proteins, nucleic acids and protein-nucleic acids complexes; performed free energy calculations.

Postdoctoral Fellow, Computational Molecular Biophysics

Doctor Of Philosophy (Ph.D.), Biomedical Sciences (Major: Molecular Biophysics & Biochemistry)

Bachelor Of Science (Bsc), Chemistry (Major: Physical Chemistry)