Small Molecules Based Services

Welcome to MolBAiozyme's

Small Molecules-Based Services.

At MolBAiozyme, we bridge the gap between cutting-edge bioinformatics and the dynamic world of protein-small molecule interactions. Dive into a realm where every molecule tells a story, and our advanced computational techniques help you uncover the secrets within. We aim to provide comprehensive insights into the structural and functional dynamics of these interactions.

Small Molecules Based Services

Protein-Small Molecule Interaction Studies

Understanding how proteins interact with small molecules is the cornerstone of biochemical research and drug discovery. At MolBAiozyme, we use sophisticated tools to reveal these interactions in unprecedented detail.

Binding Affinity Calculations:

Quantify the strength of interactions using molecular docking and molecular dynamics simulations.

Interaction Mapping:

Pinpoint and characterize binding sites on proteins through both computational and experimental methods.

Kinetic and Thermodynamic Analysis:

Dive deep into the kinetics and thermodynamics of these interactions with techniques like isothermal titration calorimetry (ITC) and surface plasmon resonance (SPR).

Small Molecules Based Services

Toxins, Hazardous Chemicals, Antioxidants and many more…

Explore how proteins interact with various small molecules to understand their impact on biological systems and the environment. Our services help you understand these interactions on a molecular level.

Toxin-Protein Interaction Analysis: Discover how toxins bind to and alter protein structures and functions.
Mechanistic Pathways: Unravel the biochemical pathways and mechanisms of toxicity.
Detoxification Pathways: Identify and analyse how proteins mediate the detoxification of hazardous chemicals.
Functional Impact Studies: Assess how antioxidant binding affects protein function and stability.

Small Molecules Based Services

Natural Products and Traditional Medicine

Uncover the therapeutic potential of natural products and traditional medicine compounds through detailed interaction studies.

Bioactive Compound Screening:

Identify bioactive compounds from natural sources and traditional remedies.

Mechanism of Action Studies:

Elucidate the molecular mechanisms behind the therapeutic effects of these compounds.

Synergistic Interaction Analysis:

Study how combinations of natural products enhance or inhibit protein functions.

Small Molecules Based Services

Metals-Protein Interactions

Metals are integral to many biological processes. Our services focus on the critical interactions between metals and proteins.

Metal Binding Sites Identification: Locate and characterize metal-binding sites using advanced computational and experimental approaches.
Metalloenzyme Activity Studies: Explore the catalytic mechanisms of metalloenzymes.
Metal Toxicity and Detoxification: Analyse the impact of toxic metals on proteins and identify detoxification mechanisms.

Small Molecules Based Services

Natural Products and Traditional Medicine

Uncover the therapeutic potential of natural products and traditional medicine compounds through detailed interaction studies.

3D Structural Visualization:
Use molecular graphics software to visualize the three-dimensional structures of protein-small molecule complexes.

Dynamic Simulation Visualization:
Animate molecular dynamics simulations to study the behaviour of these complexes over time.

Interaction Mapping:
Create detailed maps of interaction sites and analyse their structural implications.

Small Molecules Based Services

Computational Chemistry and Modelling

Our computational chemistry services delve into the molecular details, offering precise modelling and simulation of protein-small molecule interactions.

Quantum Chemical Calculations: Apply quantum mechanics to study the electronic structures and properties of complexes.
Molecular Dynamics Simulations: Simulate the dynamic behaviour of protein-small molecule complexes in various environments.
Free Energy Calculations: Estimate binding free energies using state-of-the-art computational methods.

Core Values

Automated Screening

Utilize robotic systems for high-throughput screening of small molecule libraries.

Data Mining and Analysis

Employ AI and ML techniques to analyse screening data and identify key interactions.

Hit Validation

Confirm potential hits through secondary assays and detailed analysis.