Drug Metabolism and Pharmacokinetics (DMPK) studies are a critical component of drug discovery and early development, providing essential insights into how a compound is absorbed, distributed, metabolized, and eliminated in biological systems. Well-designed DMPK testing enables informed compound selection, guides structural optimization, and helps identify potential developability risks at an early stage, thereby improving overall R&D efficiency. BOC Sciences offers a comprehensive portfolio of DMPK testing services to support drug discovery and lead optimization programs. Our integrated capabilities span in vitro DMPK screening, in vivo pharmacokinetic studies, bioanalytical support, and data interpretation, allowing clients to generate robust, decision-enabling datasets through a single, coordinated service platform.
Core Objective: Early Screening & Risk De-risking
Core Objective: Exposure & Bioavailability Analysis
BOC Sciences offers integrated in vitro and in vivo DMPK solutions, providing high-quality kinetic data to help you select and optimize your lead candidates with confidence.
BOC Sciences provides an integrated suite of in vitro and in vivo models supported by cutting-edge analytical platforms and simulation tools to accelerate drug metabolism and pharmacokinetic evaluations.
BOC Sciences adapts ADME protocols to suit the unique physicochemical properties of diverse therapeutic modalities, from traditional small molecules to complex new entities.
Evaluate client needs and provide initial assessment, discussing study objectives, molecule type, and potential feasibility.
Develop a customized DMPK plan, selecting models, sample types, and endpoints, then confirm timelines and budget with client.
Perform in vitro and in vivo studies, process samples, and generate high-quality PK and DMPK data efficiently.
Analyze results, interpret key PK/DMPK parameters, and deliver comprehensive reports supporting informed drug development decisions.
During the hit-to-lead phase, BOC Sciences provides in vitro DMPK testing, including liver microsome and hepatocyte stability, enzyme interaction studies, and plasma protein binding measurements. These assessments allow clients to identify high-risk compounds early and prioritize the most promising candidates, optimizing the use of R&D resources.
In the lead optimization stage, our team delivers a combination of in vitro and early in vivo DMPK studies, such as metabolic pathway analysis, CYP/UGT profiling, permeability testing, and protein binding evaluation. Our data help guide structural optimization, improve oral absorption, systemic exposure, and metabolic performance, enhancing overall compound developability.
At the pre-clinical candidate selection phase, we conduct comprehensive PK studies, metabolite identification, and cross-species comparisons. Evaluating plasma and tissue distribution, dose-dependency, and exposure–response relationships allows clients to select the most suitable candidate and gain data-driven support for nonclinical studies.
For IND-enabling studies, BOC Sciences performs multi-species in vivo PK assessments, exposure prediction, metabolite confirmation, and clearance mechanism analysis. By integrating PK/PD modeling and IVIVE simulations, we provide dose guidance and drug interaction risk evaluation to ensure candidates are ready for advanced development stages.
Partner with BOC Sciences to access a comprehensive platform of enzymatic, cellular, and bioanalytical services. From solubility screening to comprehensive PK profiling, we provide the robust data you need to make confident decisions.
We understand that the design-make-test cycle relies on speed. Our standard ADME screening panels offer rapid data delivery to keep your chemistry moving.
All assays include appropriate positive controls and reference standards. We employ strict acceptance criteria for mass balance and recovery to ensure data integrity for decision making.
Our bioanalysis lab is equipped with the latest Triple Quadrupole and High-Resolution Mass Spectrometers, enabling detection of compounds at low nanomolar concentrations.
Our DMPK scientists are not just operators; they are research partners. We assist in troubleshooting poor solubility, high nonspecific binding, and complex matrix effects.
Client Needs: A client's lead series of kinase inhibitors showed excellent potency but suffered from extremely short half-life (t1/2<15 min) in rat microsomes, preventing efficacy in animal models.
Challenges: The molecule contained multiple metabolically active sites, and it was unclear which moiety was driving the rapid clearance. Blind modification was yielding no improvement.
Solution: We performed a comprehensive Metabolite Identification (MetID) study using High-Resolution Mass Spectrometry (HRMS) in hepatocyte incubations across multiple species. By meticulously mapping the metabolic pathways, our team successfully pinpointed that an N-dealkylation on a specific side chain was the primary metabolic soft spot, accounting for >80% of the total turnover. This analysis confirmed that other theoretical sites remained relatively stable under physiological conditions.
Outcome: Armed with this insight, the client's chemistry team modified the side chain to block the N-dealkylation. The next iteration showed a 5-fold improvement in microsomal stability while maintaining potency, allowing the compound to advance to in vivo testing.
Client Needs: A CNS-focused biotech needed to verify if their lead compounds could cross the Blood-Brain Barrier (BBB) effectively before conducting expensive rodent microdialysis studies.
Challenges: Simple LogP data suggested the compounds were lipophilic enough, but preliminary efficacy data was negative. The client suspected transporter efflux was limiting brain exposure.
Solution: We conducted a validated bidirectional permeability assay using MDR1-transfected MDCK cells to evaluate the membrane transport kinetics. Our team calculated the Efflux Ratio (ER) and identified that the lead compound had an ER > 10, categorizing it as a strong substrate for P-glycoprotein (P-gp) mediated efflux. Following this, we performed a high-throughput SAR screening of structural analogs to identify chemical scaffolds with significantly lower ER values.
Outcome: The client identified a backup compound with an Efflux Ratio of 1.2 (not a substrate). Subsequent rodent PK confirmed high brain-to-plasma ratios, reviving the project.
Client Needs: To explain the discrepancy between in vitro microsome data (which predicted low clearance) and observed in vivo data (which showed high clearance) for a novel anti-inflammatory agent.
Challenges: Standard CYP-mediated metabolism could not account for the rapid elimination seen in animals, suggesting non-CYP mechanisms or extra-hepatic clearance.
Solution: We implemented an expanded screening strategy that included cytosolic fractions to assess aldehyde oxidase activity and primary hepatocytes to capture potential Phase II conjugation pathways. Additionally, we conducted a comparative plasma stability study across multiple species. The investigation revealed rapid enzymatic hydrolysis specifically within the plasma, a clearance mechanism that remains undetected in standard liver microsome assays.
Outcome: The clearance mechanism was identified as plasma esterase hydrolysis. The client stabilized the ester linkage, aligning the predicted and observed PK profiles in subsequent studies.
BOC Sciences utilizes various in vitro incubation systems, including liver microsomes, hepatocytes, and S9 fractions, to precisely determine metabolic rates and half-lives. Our platform supports cross-species comparative studies to sensitively capture potential metabolic liabilities. By integrating high-resolution mass spectrometry, we not only quantify substrate depletion but also provide critical metabolic profiles for subsequent structural optimization, helping to identify lead compounds with superior metabolic properties.
We employ advanced LC-MS/MS technology for high-sensitivity structural identification of metabolites in biological samples. BOC Sciences' expert team excels in interpreting complex mass spectrometry fragmentation patterns, accurately identifying major and minor metabolic pathways, including Phase I redox and Phase II conjugation reactions. This in-depth metabolic profiling helps identify bioactive products early, providing core evidence for evaluating molecular metabolic fates and potential species differences.
Using mature Caco-2 cell models or PAMPA assays, we precisely evaluate the intestinal absorption potential of candidates. BOC Sciences' testing systems measure apparent permeability coefficients and determine if compounds are affected by efflux transporters like P-gp through bidirectional transport assays. This multi-dimensional permeability evaluation assists researchers in predicting oral bioavailability and performing targeted molecular structural improvements to overcome transport bottlenecks for better drug delivery.
We primarily apply equilibrium dialysis, ultrafiltration, or ultracentrifugation to determine the extent of candidate molecule binding to plasma proteins. BOC Sciences performs refined assessments across different concentration ranges and species-specific plasmas to ensure accurate free-drug fractions. Since the unbound fraction directly influences tissue distribution and in vivo efficacy, our high-precision binding data serves as a core parameter for building reliable PK/PD models and predicting distribution.
BOC Sciences provides in vitro inhibition screening against major CYP450 isoforms, such as 3A4, 2D6, and 2C9, to assess the risk of metabolic interference. We determine $IC_{50}$ values or evaluate time-dependent inhibition (TDI) effects using fluorescence or probe substrate methods. This early risk assessment reveals potential interaction hazards and guides rational molecular design, allowing researchers to circumvent development risks associated with metabolic enzyme inhibition at an early stage.
The MetID report provided by BOC Sciences was a game-changer for our lead optimization. The structural elucidation was precise, clearly highlighting the metabolic soft spot. It allowed us to fix the stability issue in just two design cycles.
— Dr. A. Harrison, Director of Medicinal Chemistry
We use their weekly ADME tier for solubility and microsomal stability. The consistency of the data and the speed of the turnaround are exactly what we need for our iterative design process. A reliable partner for discovery support.
— Elena R., Project Manager, Biotech Startup
Our peptide project required a very sensitive LC-MS method due to low dosing levels. The team at BOC Sciences developed a method that reached the necessary LLOQ where others had failed. Excellent technical capability.
— Dr. James, Senior DMPK Scientist
They didn't just run the assays; they helped us interpret the IVIVE results to predict the human dose range. Their scientific input helped us select the right candidate for advanced profiling.
— Sarah L., VP of Preclinical Development
If you have any questions or encounter issues on this page, please don't hesitate to reach out. Our support team is ready to assist you.
