Collaborations

The Independent Drug Discovery (IDD) Lab functions as an agile, modality-agnostic computational core. Operating independently of traditional institutional bureaucracy, we offer highly flexible partnership models designed to accelerate the Design-Make-Test-Analyze (DMTA) cycle.

We actively seek collaborations with pharmacognosy research groups, synthetic organic chemists, and molecular biologists who possess promising novel compounds but require rigorous mechanistic validation to elevate their findings into high-impact, Q1-level publications.

Areas of Collaboration & Bioinformatic Services

1. Target Deconvolution & Mechanism of Action (MoA) Profiling

Designed for pharmacognosy and extraction labs with novel cytotoxic or bioactive compounds lacking a known protein target.

• High-Throughput Reverse Docking: Screening uncharacterized ligands against comprehensive human proteome databases to identify high-probability binding targets.
• Systems Biology Integration: Mapping essential hits into Protein-Protein Interaction (PPI) networks to deduce downstream therapeutic or cytotoxic mechanisms.
• Deliverable: Transitioning pure phenotypic cell-viability data into a fully mapped, target-specific MoA suitable for top-tier journals.

2. Advanced Computational Biophysics

Designed for groups requiring rigorous thermodynamic validation of established drug-target complexes.

• Molecular Dynamics (MD) Simulations: Evaluating the long-term thermodynamic stability, conformational shifts, and solvent interactions of protein-ligand complexes.
• MM/GBSA Calculations: Providing highly accurate binding free-energy estimations to rank compound efficacy.
• High-Resolution Docking: In-depth pose prediction and binding site interaction analysis (hydrogen bonding, $\pi$-$\pi$ stacking, hydrophobic mapping).

3. Rational Lead Optimization & Polypharmacology

Designed for synthetic labs looking to improve the pharmacological profile of an existing lead compound.

• ADME/Tox Profiling: Computational screening to predict and optimize absorption, distribution, metabolism, excretion, and toxicity.
• Target Selectivity: Rational redesign of ligands to improve binding affinity to the primary target while minimizing off-target interactions.
• Dual-Action Modulation: Designing targeted polypharmacology pipelines for ligands intended to modulate multiple specific targets simultaneously.

Partnership Models

We do not believe in doing science merely for the sake of mass publishing; we believe in finding real therapeutics. Our independence allows us to bypass legacy red tape and structure our partnerships based strictly on scientific merit and mutual advancement.

• Academic Collaboration: For research intended for peer-reviewed publication, we operate on a strict co-authorship model. IDD Lab handles the complete computational methodology, data visualization, and relevant manuscript drafting in exchange for appropriate authorship attribution.
• Contracted Services: For proprietary or industry-directed research requiring intellectual property protection, we offer specialized fee-for-service agreements. Due to the intensive hardware requirements of high-fidelity molecular dynamics and generative rendering, contracted projects require a 50% upfront retainer to provision dedicated computational resources, with the remaining 50% payable upon the delivery of the finalized data package and technical report.

Initiate a Collaboration

To discuss a potential partnership, project feasibility, or to request a consultation on a specific compound, please reach out directly:

• Email: idd.drugdiscovery.lab@gmail.com
• Zalo / Phone: (+84) 944 773 104

We typically review structural data and respond with a feasibility assessment within 48 hours.