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Chemistry Drug Metabolism and Pharmacokinetics (DMPK) Discovery Biology Oncology Pharmacology Biologics
Medicinal Chemistry Parallel Synthesis Peptide Chemistry Computational Chemistry Synthetic Chemistry Analytical Chemistry Scale Up Chemistry
In Vivo PK and TK In Vitro ADME Bioanalytical Service Toxicity In Rodents, Dogs and Monkeys Large Molecule Development and Bioanalysis
Fragment Based Drug Discovery (FBDD) Biochemical Assays Cellular Assays Protein Science Assay Technologies Biophysics SPR Safety Pharmacology Screening Services Key Instruments
PDX CDX Orthotopic Models Syngeneic Models Humanized Mouse Models CAR-T and CAR-NK Mouse Models In Vitro Assays
Immunology Inflammation Metabolic MASH Mouse Models Respiratory Neuroscience
Systematic Antibody Discovery Service
Process R&D Scale Up Synthesis DS Manufacturing
Flow Chemistry Sugar Chemistry Peptide Chemistry Preparative Purification Capacity Process Safety Assessment
Synthetic and Scale Up Chemistry
Kilo and Pilot Scale Production RSM and Intermediates Manufacturing QA EHS
Preformulation Formulation, Analytical, and Process Development Drug Product Manufacturing
Hot Melt Extrusion (HME) Spray Dried Dispersion (SDD) Amorphous Solid Dispersions (ASD) Bioavailability Enhancement Modified Release
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Chemistry

Drug discovery through advanced chemistry. Enhancing projects with cutting-edge expertise in medicinal, synthetic, and computational chemistry.

Home Services & Solutions Discovery Chemistry Computational Chemistry

Computational Chemistry

Overview
In collaboration with medicinal chemists, computational chemists at BioDuro-Sundia play an integral role in identifying optimizing novel leads against selected therapeutic targets using various computational tools. Our computational team assists in the design of novel scaffolds helps prioritize targets to synthesize. We also support hit identification campaigns via virtual screening or via FBDD platform.
Highlights

Deep integration with drug discovery teams

Problem solving expertise and creativity

Fast turnaround of results to enable short design cycles

Experience in patenting strategies

Broad therapeutic disease area expertise

Responsive project management

Services

Small molecule modeling, conformational analysis and comparison (QM/MM)

Homology modeling

MD-based protein conformational analysis

2D/shape/pharmacophore/structure-based virtual screening

ADMET and physiochemical property prediction

2D/3D Quantitative Structure-Activity/Property Relationship (QSAR/QSPR) model build

Diverse/focused library design, enumeration, and analysis

Key Software and Hardware

Schrödinger small molecule modeling suite

Spartan18 (Quantum Chemistry software)

Lenovo P920 Linux workstation (20-CPU/64G-Memory/GPU-RTX2080Ti)

Chemistry
Medicinal Chemistry Parallel Synthesis Peptide Chemistry Computational Chemistry Synthetic Chemistry Analytical Chemistry Scale Up Chemistry
Drug Metabolism and Pharmacokinetics (DMPK)
In Vivo PK and TK In Vitro ADME Bioanalytical Service Toxicity In Rodents, Dogs and Monkeys Large Molecule Development and Bioanalysis
Discovery Biology
Fragment Based Drug Discovery (FBDD) Biochemical Assays Cellular Assays Protein Science Assay Technologies Biophysics SPR Safety Pharmacology Screening Services Key Instruments
Oncology
PDX CDX Orthotopic Models Syngeneic Models Humanized Mouse Models CAR-T and CAR-NK Mouse Models In Vitro Assays
Pharmacology
Immunology Inflammation Metabolic MASH Mouse Models Respiratory Neuroscience
Biologics
Systematic Antibody Discovery Service
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