Nagakumar Bharatham
Senior Principal Scientist-computational Chemistry @Transition Bio, Inc.
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WORK HISTORY
Senior Principal Scientist-computational Chemistry @Transition Bio, Inc.
Cambridge, GB
Established the computational chemistry toolkit based on current/future project and medchem needs by contacting software vendors like Schrodinger, CRESSET, MolSoft, Optibrium for quotations followed by price negotiations.Manage compchem tools/software upon installation and train Medchem and AI/ML team members.Driven target ID campaigns by analyzing the Ligandability/drugability, tool compound availability, near neighbor (NN) searching.CADD lead for several Hit ID stage projects which were taken through Go/no-GO decisions by triaging hits based on project specific criteria.CADD lead for Hit2lead projects, one of the projects (novel oncology target) is currently in lead optimization stage (Applied for a patent, Co-inventor).Project specific structure-based protocols development and successful implementation, MPO of compounds to reduce the off-target engagement and optimization of properties.Maintained relationships with chemical vendors, ordered tool compounds or
EDUCATION
Gyeongsang National University
Doctor of Philosophy (PhD), Computer aided drug design
Sri Venkateswara University
Bachelor of Science, Biochemistry
Acharya Nagarjuna University
Master of Science, Biochemistry
SKILLS
ABOUT NAGAKUMAR BHARATHAM
Significant achievements:12+ years of Drug Discovery experience in three start-up companies.1) Initiated and Involved in an anti-bacterial discovery project.current status: Late Phase 12) Initiated and involved in an Immuno-oncology project.current status: Late LO3)Initiated and involving in an oncology project current status: LOComputational Medicinal Chemist with expertise in - Structure-/Ligand-based drug discovery and Drug repurposing by applying the following methods tailored based on the individual project goals and available data• Consensus Pharmacophore based models• Protein-ligand interaction fingerprints for potency and selectivity• Re/Cross docking for ideal pocket selection• Molecular docking and clustering of poses • High throughput Short MD simulations for filtering false positives• Virtual screening for scaffold hopping• Evaluation of known Off-targets• Binding free energy calculations for Protein-ligand complexes• Quantitative structure activity relationships (QSAR)• Development of reliable protein model by Homology modeling in multidisciplinary teams involving biologists, medicinal chemists working towards a common goal.Experience in dealing with Bacterial targets, GPCRs related to IO space, several oncology targets like kinases, bromodomains, PPI targets etc- Contributing to multiple time sensitive projects concurrently as a team member/leader - Communication and written skills verified by active publication and poster presentation recordWork Authorization/permission: UK: Indefinite leave to remain (ILR) India: Citizen
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