Medicinal Chemistry

Medicinal Chemistry-expert user of data informatics platforms D360, MOEsaic and Spotfire

  • Assessments and due diligence of new project proposals

  • Competitor analysis and intellectual property assessments and strategy

  • Guidance on project management from target selection and hit identification through hit to lead, lead optimization and early clinical studies with emphasis on compound quality

  • Advice on selecting medicinal chemistry design tools, laboratory setup, cheminformatics and compound management

  • New project proposals/new target identification via Phenotypic Screening of small molecules

  • High Throughput Screening (HTS) evaluation and hit ranking

  • Identification, Filtering, prioritization and selection of final screening library of compounds using filters such as diversity, similarity and cheminformatics

  • Manage and recommend partner CRO to advance a specific project

Computational Chemistry

Expert user of MOE platform

  • Hit Identification-Virtual Screening of High Throughput Screening library and vendor library of compounds, followed by iterative design, to reach the Lead Optimization stage in record time.

  • Hit and Lead Optimization: Shorten the MTAD cycle by using Pharmacophore Docking, Virtual library enumeration and docking, QSAR model generation, Scaffold replacements, Modeling and Conformational analysis, Optimization of chemical libraries using ADME - QSAR models such as Solubility, Permeability, Mouse, Rat and Human Clearence and hERG.

  • Fragment Based Drug Design: Virtual Screening, Scaffold replacement, Fragment Linking, Fragment to Lead 

  • Structure Based Drug Design: Overlay of crystal structures of ligands in the binding sites of target proteins versus off-target proteins to understand selectivity discrimination.  Use pharmacophore modeling-docking-searching, R-group screening, protein-ligand interaction fingerprints (PLIF), diversity analysis, generating homology models of target protein and ADME property modeling to reduce the project time from Hit to Clinical Candidate

Synthetic Organic Chemistry-Medicinal Chemistry

Expert user of retrosynthetic analysis tools such as Synthia, Spaya, SciFinder and Reaxis

  • Multi-step synthesis of complex target/tool compounds for concept stage projects

  • Combinatorial Chemistry, Parallel Synthesis of chemical libraries, Organic Synthesis Laboratory Automation and Setup

  • Scale up of clinical candidates, flow chemistry and process chemistry optimization

  • Expert in Nucleoside and Nucleotides synthesis, scale up and purification (AKTA syntems)

  • Expert in Conjugation Chemistry for the synthesis of Rhodamine Dye Labeled  Nucleic acids to be used as DNA Sequencing Reagents for the Sequencing of the Human Genome.

  • Experience in the synthesis and purification of heterocycles