Small Molecule Drug Discovery Services
Small molecule drugs—low-molecular-weight compounds capable of crossing cell membranes and modulating intracellular targets—represent the predominant modality in clinical therapeutics. They play essential roles in treating cancer, infection, inflammation, autoimmune conditions, and neurological disorders. Small molecule drug discovery combines molecular design, target identification, compound screening, structural optimization, and functional validation into a unified workflow. Advances in genomics, proteomics, AI-enabled drug design, and high-throughput screening (HTS) have significantly accelerated timelines and reduced costs.
As a multi‑omics and drug discovery CRO, MtoZ Biolabs integrates cutting‑edge chemical synthesis, biological testing, and high‑resolution mass spectrometry platforms to support end‑to‑end Small Molecule Drug Discovery Services—from target validation through lead optimization—enabling clients to advance projects with greater speed and confidence.
Services at MtoZ Biolabs
MtoZ Biolabs offers a modular yet integrated suite of small molecule drug discovery services aligned with each stage of small molecule drug discovery:
1. Target Identification and Validation Service
We integrate literature mining, expression profiling, functional screening, and computational approaches to identify potential targets. CRISPR, RNA interference, and phenotypic screening are applied for functional and druggability validation, providing a robust foundation for downstream efforts.
Leveraging diversified screening platforms—such as HTS and fragment screening—alongside biophysical methods (SPR, DSF, ITC, NMR) and structural techniques (X‑ray, Cryo-EM), we systematically identify active small molecules with desirable specificity and development potential.
3. Hit-to-Lead Identification Service
Confirmed hits undergo structure–activity relationship (SAR) analysis, in vitro and in vivo bioactivity assessment, and ADME profiling. Through iterative DMTA (Design–Make–Test–Analyze) cycles, we enrich molecules with improved selectivity, metabolic stability, and overall developability, nominating those suitable for preclinical progression.
Focusing on candidate leads, we further refine potency, selectivity, pharmacokinetics, and toxicity using SAR, biological assays, ADME screening, and AI-assisted design. Iterative optimization elevates compounds to readiness for IND-enabling studies.
5. Fragment Based Drug Discovery Service
Employing NMR, SPR, X‑ray, and Cryo‑EM to detect and validate fragment hits, we apply fragment evolving strategies—growing, linking, merging—to transform low-molecular fragments into high-affinity lead molecules.
6. Structure Based Drug Discovery Services
We determine or model target protein structures, perform computational docking and virtual screening to pinpoint binding sites, and synthesize prioritized molecules. Biophysical assays (e.g., SPR, ITC, DSF) are used to validate binding and enrich candidates with strong affinities and drug-like attributes.
Analysis Workflow
Our small molecule drug discovery services typically follows six stages:
1. Project evaluation & customized planning
2. Target identification & functional validation
3. Screening and hit identification
4. SAR-driven hit-to-lead advancement
5. Mechanistic validation & binding confirmation
6. Early ADME profiling & final lead nomination
Service Advantages
1. End-to-End Discovery Platform
MtoZ Biolabs supports everything from target selection and hit identification to lead optimization and candidate nomination, offering cohesive and streamlined project execution.
2. Multi‑Modal Technology Integration
By combining genomics, proteomics, mass spectrometry, high-throughput screening, molecular modeling, and mechanism validation, we ensure a thorough, multidimensional understanding of compound–target interactions.
3. Support for Challenging Targets
Our platform effectively addresses complex targets like membrane proteins and protein–protein interactions through advanced biophysical and structural techniques designed to detect indirect or weak engagement.
4. Rich Mechanistic Validation Approaches
We employ pull-downs, DARTS, thermal shift assays, and structural analyses to confirm direct binding and characterize functional effects, helping clients de-risk and validate lead compounds.
5. Transparent Data Delivery
Clients receive detailed documentation—including experimental design, raw and analyzed data, SAR summaries, and compound properties—facilitating downstream development and regulatory submissions.
Applications
Our small molecule drug discovery services are well-suited for research in:
1. Targeted oncology small molecules
2. Neurodegenerative disease therapeutics
3. Immunomodulators for autoimmune conditions
4. Innovative anti-infectives
5. Inhibitors of protein–protein interactions
FAQ
Q1: I only have a target sequence—can I start a project?
A1: Absolutely. We can model the protein structure and combine virtual screening and molecular docking to initiate hit-finding.
Q2: Can I commission only one module, such as hit optimization?
A2: Yes. Our services are modular and can be ordered independently or as an integrated package.
Q3: Do you offer experimental design or data analysis consulting?
A3: Yes. We provide tailored planning and interpretation support before and during project execution.
Q4: Can we provide our own proteins, cells, or compounds?
A4: Yes. You may submit your own biological materials or test compounds for integration into our platform.
Deliverables
1. Experimental plans and progress reports
2. Hit screening data and structural information
3. SAR optimization records
4. Mechanism validation charts and analysis
5. Lead compound profiles with ADME data
6. Final summary report
MtoZ Biolabs is committed to supporting global biopharma researchers through reliable and expandable small molecule drug discovery services. Whether you're initiating a target project or optimizing hit compounds, our expert team can deliver custom-tailored solutions to advance your drug development goals.
For detailed proposals or pricing, contact us today—we look forward to collaborating with you to accelerate your new drug pipeline.
How to order?
