Ciencia Labs — Accelerating Drug Discovery

Core Services

Medicinal Chemistry

Integrated Chemistry Solutions

Hit · Lead · Candidate

We design, synthesize, and optimize drug candidates with an experienced medicinal chemistry team — transforming promising hits into high-quality lead compounds through rigorous SAR-driven DMTA cycles.

Hit-to-Lead & Lead Optimization

Rapid analog generation, bioisosteric replacement, scaffold hopping, and multi-parameter optimization to improve potency, selectivity, solubility, metabolic stability, and oral bioavailability.

SAR Studies & Analog Design

Structure–activity relationship exploration using structure-based and ligand-based design, supported by computational modeling and crystallography data to guide synthesis priorities.

Library Synthesis & Enumeration

Parallel and automated synthesis of focused analog libraries, diversity-oriented libraries, and fragment-based screening sets for primary and secondary hit identification campaigns.

PROTACs & Molecular Degraders

Design and synthesis of PROTAC bifunctional molecules, molecular glues, and other targeted protein degraders across E3 ligase partnerships including CRBN, VHL, and IAP systems.

Process Chemistry & Scale-Up

Route scouting, impurity control, green chemistry approaches, and synthesis from milligram to multi-gram scale with full HPLC/LC-MS/NMR analytical support and process documentation.

Core Services

Biology & Assay Development

Comprehensive Biological Profiling

In Vitro · Cellular · Translational

Comprehensive biological profiling powered by robust biochemical, cellular, and translational assay platforms — from hit identification through candidate selection, with mechanistic depth at every stage.

Biochemical & Cellular Assays

Enzyme inhibition, kinase profiling, FP/FRET/TR-FRET, and ELISA assays plus cell-based readouts including viability, apoptosis, cell cycle, reporter gene, and high-content imaging across disease-relevant models.

ADME / DMPK Profiling

Solubility, LogP/LogD, microsomal and hepatocyte stability, plasma protein binding, CYP450 inhibition/induction, and Caco-2/PAMPA permeability — data-driven approaches to reduce late-stage attrition.

Mechanism of Action Studies

Target engagement assays, pathway analysis, proteomics-based target identification, and selectivity panel profiling to confirm and characterize compound mechanism at the molecular level.

PROTAC & Degrader Characterization

Protein degradation quantification (western blot, flow cytometry, TR-FRET), hook-effect assessment, ternary complex formation, and ubiquitination studies to support degrader optimization.

Biomarker Discovery & Validation

Biomarker panels across oncology, immunology, inflammation, and metabolic disorders — including multiplex immunoassays, gene expression analysis, and patient-stratification biomarker strategies.

Core Services

Computational Chemistry

AI-Driven Molecular Design

SBDD · Virtual Screening · ML

AI-driven molecular design and advanced computational modeling that reduces development time and experimental costs — integrating structure-based design, machine learning, and molecular dynamics in one platform.

Structure-Based Drug Design

Protein structure preparation, binding site characterization, induced-fit docking, pharmacophore modeling, and fragment-based design — narrowing millions of compounds to focused, high-potential screening sets.

Virtual Screening & Docking

High-throughput virtual screening using Glide, AutoDock Vina, and GOLD against validated protein targets, with consensus scoring and ADMET filters to deliver enriched, experimentally tractable hit lists.

QSAR / ML Predictive Models

2D/3D QSAR, ADMET and toxicity prediction, and graph neural network models built on Python, scikit-learn, TensorFlow, and PyTorch — with explainable AI approaches for interpretable SAR insights.

Molecular Dynamics Simulations

GROMACS, AMBER, Desmond, NAMD, CHARMM, and OpenMM workflows for RMSD/RMSF analysis, free energy calculations (MM-PBSA/MM-GBSA), allosteric site identification, and binding stability studies.

ADMET & Toxicity Prediction

In silico ADMET profiling including BBB permeability, hERG liability, metabolic soft-spot prediction, and multi-parameter optimization scoring to prioritize compounds with favorable drug-like profiles.

Core Services

In Vivo Pharmacology

Preclinical Efficacy & Safety Studies

PK/PD · Efficacy · Toxicology

Comprehensive preclinical efficacy, pharmacokinetic, and safety studies designed to advance candidates toward IND filing and clinical development with rigorous, audit-ready documentation.

PK / PD Modeling

Single- and multiple-dose pharmacokinetics, bioavailability, tissue distribution, non-compartmental and population PK modeling, and exposure-response analysis to establish optimal dosing strategies.

Oncology Efficacy Models

Xenograft, syngeneic, PDX, and orthotopic tumor models across solid and haematologic malignancies — with tumor growth inhibition, survival, and biomarker endpoint readouts for candidate prioritization.

CNS & Neuroscience Models

Neurodegenerative, behavioral, cognitive, and pain models including Morris Water Maze, novel object recognition, rotarod, von Frey, and hotplate assays for disease-modifying therapy programs.

Metabolic Disease Models

Diet-induced obesity, STZ-induced diabetes, NAFLD/NASH, and dyslipidemia models with metabolic profiling — glucose tolerance, insulin sensitivity, lipid panels, and liver histopathology endpoints.

Toxicology & Formulation Development

Acute, subacute, and repeat-dose toxicology, MTD and safety pharmacology for IND-enabling packages; plus oral, injectable, nanoparticle, and sustained-release formulation development and characterization.

Core Services

Custom Synthesis & Building Blocks

Tailored Chemical Synthesis

mg to g · High Purity · Full Characterization

Tailored chemical synthesis from milligram to multi-gram scale — complex molecules, heterocyclic intermediates, fragment libraries, reference standards, and isotope-labeled compounds with full analytical characterization.

Complex Molecule Synthesis

Multi-step organic synthesis including heterocyclic, chiral, and macrocyclic compounds, peptidomimetics, and natural product analogs — delivering >95% purity with complete analytical documentation.

PROTACs & Molecular Glue Degraders

Custom synthesis of bifunctional PROTAC molecules, molecular glues, and linker-warhead combinations; scale-up from discovery to IND-enabling quantities with process chemistry support.

Building Block & Fragment Libraries

Custom heterocyclic intermediates, privileged scaffolds, and AI-assisted diversity-oriented fragment libraries designed for primary screening and fragment-based drug discovery campaigns.

Reference Standards & Metabolites

Impurity standards, process-related impurities, and metabolite synthesis to ICH guidelines; isotope labeling (¹⁴C, ³H, deuterium) for ADME, mass-balance, and bioanalytical studies.

Isotope Labeling

Carbon-14, tritium, and deuterium labeling with certified specific activity and radiochemical purity — supporting ADME studies, receptor binding assays, and quantitative bioanalytical methods.

Core Services

Analytical & Purification

State-of-the-Art Characterization

HPLC · LC-MS/MS · NMR · Prep Chrom

State-of-the-art analytical characterization and purification ensuring the highest standards of compound identity, purity, and quality — with full analytical reports for every batch at every scale.

HPLC / UPLC & Chiral Separation

Purity determination, impurity profiling, stability-indicating methods, and enantiomeric purity via chiral chromatography — with full method development, validation, and transfer documentation.

Mass Spectrometry (LC-MS/MS)

High-resolution molecular weight confirmation, structural elucidation, trace-level impurity detection, and quantitative bioanalysis using LC-MS/MS platforms with multiple ionization modes.

NMR Spectroscopy

¹H, ¹³C, ¹⁹F, and ³¹P NMR with 2D experiments (COSY, HSQC, HMBC, NOESY) for definitive structural verification, stereochemistry confirmation, and conformational analysis.

Preparative & Flash Chromatography

Milligram to multi-gram scale purification using prep HPLC and automated flash chromatography — with fraction collection, recovery optimization, and analytical verification reports for every batch.

Method Development & Validation

ICH-aligned analytical method development and validation across specificity, linearity, accuracy, precision, robustness, and detection/quantitation limits for regulatory submission packages.

Therapeutic Focus

Oncology

Solid & Haematologic Tumors

Targeted · Immuno-Oncology · Degraders

Targeted therapies, immuno-oncology, and small-molecule discovery for next-generation cancer treatments — from kinase inhibitors and PROTACs to immune checkpoint modulators, backed by validated PDX and syngeneic models.

Key Molecular Targets

BTK, BCR-ABL, EGFR, HER2, PI3K/AKT/mTOR, KRAS (G12C/G12D), CDK4/6, JAK1/2, STAT3, BCL-2/BCL-xL, MDM2, and PARP across kinase, epigenetic, and anti-apoptotic target classes.

Kinase Inhibitors & Allosteric Modulators

Type I, II, and III kinase inhibitor design with selectivity profiling across KINOMEscan panels; covalent inhibitor campaigns and allosteric modulator programs supported by MD simulations and SBDD.

PROTACs & Targeted Degraders

Bifunctional PROTAC design leveraging CRBN, VHL, and IAP E3 ligases; ternary complex modeling, linker optimization, and hook-effect characterization across oncology targets including BRD4 and CDK6.

Immuno-Oncology Programs

Immune checkpoint research (PD-1/PD-L1, CTLA-4, TIM-3, LAG-3), small-molecule immunomodulators, and tumor microenvironment profiling assays to support combination therapy strategies.

Disease Models

Xenograft (subcutaneous, orthotopic), syngeneic, and PDX tumor models with tumor growth inhibition, survival, and pharmacodynamic biomarker endpoints; plus in vitro 2D/3D spheroid and co-culture systems.

Therapeutic Focus

Cardiovascular & Metabolic

Cardiometabolic Disease Programs

Heart Failure · Diabetes · NASH

Programs targeting heart failure, atherosclerosis, diabetes, obesity, and NAFLD/NASH — combining target-based and phenotypic approaches with translational disease models to advance cardiometabolic drug candidates.

Key Molecular Targets

PCSK9, ACE/ACE2, angiotensin AT1/AT2 receptors, SGLT2, GLP-1R, DPP-4, PPAR-α/γ/δ, AMPK, FXR, and ACC pathways across lipid metabolism, glucose homeostasis, and cardiac function.

Cardiovascular Disease

Programs for heart failure (HFpEF, HFrEF), atherosclerosis, hypertension, and cardiac fibrosis — including natriuretic peptide pathways, cardiac remodeling assays, and pressure-overload disease models.

Diabetes & Insulin Resistance

Type 2 diabetes and insulin resistance programs targeting SGLT2, GLP-1, DPP-4, and insulin signaling — with glucose tolerance, insulin sensitivity, and HbA1c endpoints in STZ and dietary mouse models.

NAFLD / NASH & Dyslipidemia

NAFLD/NASH programs targeting FXR, ACC, FASN, and stearoyl-CoA desaturase pathways, with liver histopathology (NAS scoring), steatosis, inflammation, and fibrosis endpoint assessment.

Disease Models

Diet-induced obesity (DIO), high-fat diet, STZ-induced diabetes, ApoE⁻/⁻ atherosclerosis, CDAA-HFD NASH, and spontaneous hypertensive rat models with full metabolic phenotyping panels.

Therapeutic Focus

Neuroscience / CNS

Neurodegeneration, Pain & Cognition

Alzheimer's · Parkinson's · Pain

Alzheimer's, Parkinson's, pain management, and neuroinflammation programs aimed at disease-modifying therapies — supported by BBB permeability prediction and validated behavioral and cognitive disease models.

Key Molecular Targets

Amyloid-beta (Aβ42 aggregation/clearance), tau (hyperphosphorylation/aggregation), alpha-synuclein, LRRK2, GSK-3β, BACE1, TRPV1, CGRP, sigma receptors, and opioid receptor pathways.

Alzheimer's & Neurodegeneration

Disease-modifying approaches targeting amyloid processing, tau pathology, neuroinflammation (NLRP3, TREM2), and mitochondrial dysfunction — with cell-based and primary neuronal assay platforms.

Parkinson's Disease

Alpha-synuclein aggregation inhibitors, LRRK2 kinase inhibitors, and mitophagy enhancers — supported by dopaminergic neuron protection assays, rotenone/MPTP models, and behavioural endpoints.

Pain & Neuroinflammation

TRPV1, CGRP, Nav1.7/1.8, and opioid-pathway programs for acute, inflammatory, and neuropathic pain — with von Frey, hotplate, CFA-induced inflammation, and SNL/CCI neuropathic pain models.

CNS Drug Delivery & BBB

Blood-brain barrier permeability prediction (PAMPA-BBB, MDCK-MDR1), P-gp efflux assessment, brain/plasma ratio determination, and CNS MPO scoring to guide optimization of CNS-penetrant candidates.

Therapeutic Focus

Infectious Disease

Antiviral · Antibacterial · Antifungal

MDR Pathogens · Novel Mechanisms

Drug discovery for emerging and drug-resistant pathogens — spanning antiviral, antibacterial, and antifungal programs with validated target-based and phenotypic assay platforms and resistance mechanism profiling.

Antiviral Programs

Entry inhibitor, viral replication, protease, polymerase, and integrase inhibitor programs across RNA and DNA viruses — with viral neutralization assays, plaque reduction, CPE assays, and resistance profiling.

Antibacterial Discovery

MDR bacterial infection programs targeting novel mechanisms — cell wall biosynthesis, bacterial topoisomerases, efflux pump inhibition, and quorum sensing — with MIC/MBC determination and time-kill studies.

Biofilm Inhibition

Static and dynamic biofilm formation inhibition assays across S. aureus (MRSA), P. aeruginosa, C. albicans, and polymicrobial biofilms; MBEC determination and biofilm eradication concentration studies.

Antifungal Targets

Ergosterol biosynthesis (CYP51/14α-demethylase), glucan synthase (FKS1), and chitin synthase targets — with azole, echinocandin, and novel scaffold programs supported by resistance mechanism studies.

Resistance & Selectivity Studies

Serial passage resistance studies, resistance mechanism elucidation (WGS, gene expression), and selectivity profiling against mammalian cells to establish therapeutic window for advanced candidates.

Therapeutic Focus

Immunology & Inflammation

Autoimmune Disorders & Fibrosis

JAK/STAT · TNF · TGF-β · Fibrosis

Autoimmune disorders, fibrosis, and inflammatory pathway modulation — covering RA, lupus, psoriasis, IBD, MS, and pulmonary, liver, and kidney fibrosis with well-validated pathway assays and translational disease models.

Key Molecular Targets

JAK1/2/3/TYK2, STAT3/6, TNF-α, IL-6/IL-6R, IL-17A, IL-23/p19, BTK, ITK, NF-κB (IKKβ), TGF-β/SMAD, and PI3Kδ/γ pathways across autoimmune and fibrotic disease indications.

Autoimmune Disease Programs

Small-molecule immunomodulator programs for RA, SLE, psoriasis, IBD (UC/CD), and MS — with T-cell activation, cytokine release, Th17/Treg polarization, and disease-relevant cellular assay readouts.

Fibrosis Programs

TGF-β/SMAD, CTGF, and PI3K/AKT pathway inhibition for pulmonary (IPF), liver (NASH-associated), and kidney fibrosis — with collagen deposition, myofibroblast activation, and α-SMA endpoint assays.

Cytokine & Pathway Profiling

Multiplex cytokine panels (Luminex, MSD), NF-κB/AP-1 reporter assays, phospho-flow cytometry, and Th1/Th2/Th17/Treg polarization assays for mechanistic characterization of immunomodulators.

Disease Models

Collagen-induced arthritis (CIA), imiquimod-induced psoriasis, DSS-induced colitis, lupus-prone (MRL/lpr) mouse models, and bleomycin-induced pulmonary fibrosis with histopathology endpoint panels.

Therapeutic Focus

Rare & Orphan Diseases

Specialized Programs for Underserved Populations

Precision Medicine · NGS · Orphan Strategy

Specialized drug discovery programs for underserved patient populations with significant unmet medical need — including lysosomal storage diseases, neuromuscular disorders, and pediatric rare disease with genomics-guided precision approaches.

Lysosomal Storage Diseases

Small-molecule chaperone, substrate reduction, and enzyme replacement synergist programs for Gaucher, Fabry, Pompe, and Niemann-Pick diseases — with enzyme activity and substrate clearance endpoint assays.

Neuromuscular Disorders

Spinal muscular atrophy (SMN2 splicing modifiers), Duchenne muscular dystrophy (exon skipping, utrophin upregulators), and other neuromuscular targets with motor neuron survival and myotube assay platforms.

Rare Metabolic Disorders

Organic acidemias, aminoacidopathies, and congenital disorders of glycosylation — with patient-derived cell models, metabolomics profiling, and enzyme correction endpoint assays for small-molecule correctors.

NGS & Precision Medicine Support

Next-generation sequencing data interpretation, variant-of-unknown-significance (VUS) analysis, genotype-phenotype correlation studies, and patient stratification strategies for rare disease clinical programs.

Orphan Drug Development Strategy

IND-enabling package design, natural history study support, biomarker identification, and regulatory strategy (FDA Orphan Drug Designation, EMA COMP) to accelerate rare disease programs to the clinic.

Accelerating Drug Discovery from Concept to Clinic

A Science-First CRO Built for Innovation

Rapid Turnaround

GLP Compliant

Expert Team

Global Reach

Integrated Discovery Solutions

Medicinal Chemistry

Biology & Assay Development

Computational Chemistry

In Vivo Pharmacology

Custom Synthesis & Building Blocks

Analytical & Purification

From Target to Candidate

Target Identification

Hit Discovery

Lead Optimization

IND-Enabling

What Sets Us Apart

Speed to Results

IP Security & GLP Quality

Scientific Depth

Global, Flexible Models

Driving Discovery Across Therapeutic Areas

Oncology

Cardiovascular & Metabolic

Neuroscience / CNS

Infectious Disease

Immunology & Inflammation

Rare & Orphan Diseases

Ready to Advance Your Pipeline?