A customer perspective on hit validation in fragment based drug discovery
Recorded webinar
The PEAQ-ITC Automated, a MicroCal technology, is a configurable, low volume, highly sensitive isothermal titration calorimeter which offers the convenience of unattended operation. It delivers direct, label-free in solution measurement of all binding parameters in a single experiment. Applications include characterizing molecular interactions of small molecules, proteins, antibodies, nucleic acids, lipids and other biomolecules. It can also be used to measure enzyme kinetics.
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The PEAQ-ITC Automated, a MicroCal technology, combines the high sensitivity of the PEAQ-ITC - the calorimeter core of the system - with walkaway automation, to meet the productivity needs of busy research and drug discovery laboratories.
The system directly measures heat released or absorbed during biochemical binding events, from which it calculates binding affinity (KD), stoichiometry (n), enthalpy (ΔH), and entropy (ΔS).
Other than preparing samples and reagents to appropriate concentrations, there is minimal assay development, and time to first result is fast. Easy-to-use software includes optimized automation scripts for robust operation with a variety of sample types and conditions.
Isothermal titration microcalorimeters measure the heat change that occurs when two molecules interact. Heat is released or absorbed as a result of the redistribution and formation of non-covalent bonds when the interacting molecules go from the free to the bound state.
ITC monitors these heat changes by measuring the differential power, applied to the cell heaters, required to maintain zero temperature difference between the reference and sample cells as the binding partners are mixed.
The reference cell usually contains water, while the sample cell contains one of the binding partners (the sample, often but not necessarily a macromolecule) and a stirring syringe which holds the other binding partner (the ligand).
The ligand is injected into the sample cell, typically in 0.5 to 2 μL aliquots, until the ligand concentration is two- to three-fold greater than the sample.
Each injection of ligand results in a heat pulse that is integrated with respect to time and normalized for concentration to generate a titration curve of kcal/mol vs molar ratio (ligand/sample).
The resulting isotherm is fitted to a binding model to generate the affinity (KD ), stoichiometry (n) and enthalpy of interaction (ΔH).
Core PEAQ-ITC Analysis software offers experiment design simulation, batch evaluation of large data sets, automated assessment of data quality and a streamlined user interface that guides the user to final figures and presentation quality graphs quickly and easily.
Very good instrument, fast and easy to use."
Clarissa Melo Czekster — University of St Andrews
| Measurement type | Affinity (KD)
Enthalpy ∆H Entropy ∆S Stoichiometry (n) |
|---|---|
| Sample capacity | 384 (four 96 well plates) |
| Sample tray temperature range | 4°C ± 2°C at ambient |
| Sample volume | 370 µL |
| Cell volume | 200 µL |
| Injection syringe volume | 40 µL |
| Injection volume precision | < 1% @ 2 µL |
| Throughput | Up to 42 per 24 h (SIM) |
| Cell material | Hastelloy |
| Cell | Coin-shaped |
| Noise | 0.15 ncal/s |
| Temperature range | 2°C to 80°C |
| Temperature stability | ±0.00012°C |
| Response time | 8 s* |
| Multiple feedback modes | Yes (passive, high gain, low gain) |
| Notes | *The MicroCal PEAQ-ITC Instrument Response Time is a true time constant. It is the time interval between the first deviation away from the baseline, and the point on the peak that is 63% of the maximum peak height. |
| Temperature (operating) | 10 °C to 28 °C |
|---|---|
| Humidity | 0% to 70% RH, non condensing |
| Power Supply | 100 - 240 V, 50/60 Hz, 400 W |
|---|---|
| Weight | 91 kg |
| Dimensions (W, D, H) | Fully assembled: 61 x 58 x 76 cm
Calorimeter: 17 x 36 x 16 cm |
MicroCal PEAQ-ITC instruments provide value to a wide range of applications, some of which are outlined below.
Central to hit validation and lead optimization programs is obtaining accurate affinity measurements and stoichiometries. Because ITC does not require labeling or immobilization, has no upper or lower mass limitations or buffer requirements, it is universally applicable for determining very accurate affinities for any protein:drug interactions, including small molecule and biologics.
ITC is a key element in the structural biologist’s toolbox. Not only for quantitative structure-activity measurements, but alsofor the optimization of co-crystallization conditions.
Version number: MAN0578-03-EN-00
Version number: MAN0579-03-EN-00
Version number: MAN0575-02-EN-00
Version number: MAN0574-02-EN-00
Version number: MAN0576-01-EN-00
PEAQ-ITC Analysis Software v1.52
PEAQ ITC Automated Control Software v1.52
PEAQ ITC Automated Control Software v1.51
Control Software
Analysis Software
Analysis Software
Control Software
Control Software
Analysis Software
![[Technical support services cut corner engineer icon.jpg] Technical support services cut corner engineer icon.jpg](https://dam.malvernpanalytical.com/d0c70f08-9e0d-4e18-867a-b25d00ea46ae/Technical%20support%20services%20cut%20corner%20engineer%20icon_Original%20file.jpg)
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Unmatched uptime and performance
Malvern Panalytical instruments are built to last and good maintenance and care ensure continued peak performance for many years to come. Service Agreements build this into your schedule and budget, based on preventive maintenance and remote support . Different levels include repair visits, response times and parts coverage as needed. OQ services, training and application consultancy can be added as well.
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![[Training and expertise cut corner presenter icon.jpg] Training and expertise cut corner presenter icon.jpg](https://dam.malvernpanalytical.com/1bad9bc7-37d8-4ce9-bda4-b25d00ea443a/Training%20and%20expertise%20cut%20corner%20presenter%20icon_Original%20file.jpg)
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Advanced analysis and actionable insights
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![[Product support cut corner cog icon.jpg] Product support cut corner cog icon.jpg](https://dam.malvernpanalytical.com/0e7d58ab-5b41-4676-98dc-b25d00ea45f5/Product%20support%20cut%20corner%20cog%20icon_Original%20file.jpg)
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Easy start and streamlined routine operations
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![[Service team and contact cut corner agent icon.jpg] Service team and contact cut corner agent icon.jpg](https://dam.malvernpanalytical.com/02a7577c-c20c-4a3b-9a1a-b25d00ea45e3/Service%20team%20and%20contact%20cut%20corner%20agent%20icon_Original%20file.jpg)
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Want to speak to a service expert or find the services that are just right for you?
Reach out to our experts and evaluate your services needs and business risks by answering a few questions around the usage of your Malvern Panalytical instrument.
|
|
|
*Please note that the exact details of our services and their availability are determined by a variety of customer-specific factors, such as product type, product configuration, or location. |
||
The PEAQ-ITC Automated, a MicroCal technology, combines the high sensitivity of the PEAQ-ITC - the calorimeter core of the system - with walkaway automation, to meet the productivity needs of busy research and drug discovery laboratories.
The system directly measures heat released or absorbed during biochemical binding events, from which it calculates binding affinity (KD), stoichiometry (n), enthalpy (ΔH), and entropy (ΔS).
Other than preparing samples and reagents to appropriate concentrations, there is minimal assay development, and time to first result is fast. Easy-to-use software includes optimized automation scripts for robust operation with a variety of sample types and conditions.
Isothermal titration microcalorimeters measure the heat change that occurs when two molecules interact. Heat is released or absorbed as a result of the redistribution and formation of non-covalent bonds when the interacting molecules go from the free to the bound state.
ITC monitors these heat changes by measuring the differential power, applied to the cell heaters, required to maintain zero temperature difference between the reference and sample cells as the binding partners are mixed.
The reference cell usually contains water, while the sample cell contains one of the binding partners (the sample, often but not necessarily a macromolecule) and a stirring syringe which holds the other binding partner (the ligand).
The ligand is injected into the sample cell, typically in 0.5 to 2 μL aliquots, until the ligand concentration is two- to three-fold greater than the sample.
Each injection of ligand results in a heat pulse that is integrated with respect to time and normalized for concentration to generate a titration curve of kcal/mol vs molar ratio (ligand/sample).
The resulting isotherm is fitted to a binding model to generate the affinity (KD ), stoichiometry (n) and enthalpy of interaction (ΔH).
Core PEAQ-ITC Analysis software offers experiment design simulation, batch evaluation of large data sets, automated assessment of data quality and a streamlined user interface that guides the user to final figures and presentation quality graphs quickly and easily.
Very good instrument, fast and easy to use."
Clarissa Melo Czekster — University of St Andrews
| Measurement type | Affinity (KD)
Enthalpy ∆H Entropy ∆S Stoichiometry (n) |
|---|---|
| Sample capacity | 384 (four 96 well plates) |
| Sample tray temperature range | 4°C ± 2°C at ambient |
| Sample volume | 370 µL |
| Cell volume | 200 µL |
| Injection syringe volume | 40 µL |
| Injection volume precision | < 1% @ 2 µL |
| Throughput | Up to 42 per 24 h (SIM) |
| Cell material | Hastelloy |
| Cell | Coin-shaped |
| Noise | 0.15 ncal/s |
| Temperature range | 2°C to 80°C |
| Temperature stability | ±0.00012°C |
| Response time | 8 s* |
| Multiple feedback modes | Yes (passive, high gain, low gain) |
| Notes | *The MicroCal PEAQ-ITC Instrument Response Time is a true time constant. It is the time interval between the first deviation away from the baseline, and the point on the peak that is 63% of the maximum peak height. |
| Temperature (operating) | 10 °C to 28 °C |
|---|---|
| Humidity | 0% to 70% RH, non condensing |
| Power Supply | 100 - 240 V, 50/60 Hz, 400 W |
|---|---|
| Weight | 91 kg |
| Dimensions (W, D, H) | Fully assembled: 61 x 58 x 76 cm
Calorimeter: 17 x 36 x 16 cm |
MicroCal PEAQ-ITC instruments provide value to a wide range of applications, some of which are outlined below.
Central to hit validation and lead optimization programs is obtaining accurate affinity measurements and stoichiometries. Because ITC does not require labeling or immobilization, has no upper or lower mass limitations or buffer requirements, it is universally applicable for determining very accurate affinities for any protein:drug interactions, including small molecule and biologics.
ITC is a key element in the structural biologist’s toolbox. Not only for quantitative structure-activity measurements, but alsofor the optimization of co-crystallization conditions.
Version number: MAN0578-03-EN-00
Version number: MAN0579-03-EN-00
Version number: MAN0575-02-EN-00
Version number: MAN0574-02-EN-00
Version number: MAN0576-01-EN-00
PEAQ-ITC Analysis Software v1.52
PEAQ ITC Automated Control Software v1.52
PEAQ ITC Automated Control Software v1.51
Control Software
Analysis Software
Analysis Software
Control Software
Control Software
Analysis Software
|
|
Unmatched uptime and performance
Malvern Panalytical instruments are built to last and good maintenance and care ensure continued peak performance for many years to come. Service Agreements build this into your schedule and budget, based on preventive maintenance and remote support . Different levels include repair visits, response times and parts coverage as needed. OQ services, training and application consultancy can be added as well.
|
|
|
|
Advanced analysis and actionable insights
|
|
|
|
Easy start and streamlined routine operations
|
|
|
|
Want to speak to a service expert or find the services that are just right for you?
Reach out to our experts and evaluate your services needs and business risks by answering a few questions around the usage of your Malvern Panalytical instrument.
|
|
|
*Please note that the exact details of our services and their availability are determined by a variety of customer-specific factors, such as product type, product configuration, or location. |
||
Direct, label free and in-solution measurements of binding affinity and thermodynamic parameters in a single experiment to meet the varied and demanding requirements of today’s life science laboratories.
![[PN13012_2520_CLV_Photography_MP_JN.jpg] PN13012_2520_CLV_Photography_MP_JN.jpg](https://dam.malvernpanalytical.com/1b3bd0b0-1f31-43bf-a862-ae5100d0f47e/PN13012_2520_CLV_Photography_MP_JN_Original%20file.jpg)
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