Oldalak

Tuesday, April 28, 2020

Project-specific subsets of the ULTIMATE database are now available from Mcule!


As many of you know, we have recently released our database of 122 million completely novel and synthetically feasible compounds, the ULTIMATE database. https://ultimate.mcule.com/ 

Our cheminformatic team has created focused ULTIMATE libraries to jumpstart your project without the need to search in the full chemical database.

For a detailed description and to access the ULTIMATE subsets, please reach out to us at support@mcule.com

Thursday, April 9, 2020

Collection of 122 million novel and synthetically accessible compounds

Mcule introduces the 1st release of the ULTIMATE database.

Mcule has officially launched its own developed database of novel and synthetically accessible compounds.

The 1st version of the ULTIMATE database contains over 122 million compounds with known prices, 80% synthetic success rate and 2-6 weeks delivery time. ULTIMATE is based on robust reactions and off-the-shelf building blocks of our supplier partners such as HTS Biochemie, Key Organics and Life Chemicals.

Our web application provides a comfortable way to discover this novel chemical space online. Please visit: https://ultimate.mcule.com/

If you want to download the ULTIMATE database, reach out to us at support@mcule.com.


Monday, March 23, 2020

Free compounds from Mcule, designed against COVID-19






Mcule and its partners are contributing to the work of the scientific community against COVID-19 by carrying out computational studies to identify potentially effective compounds against relevant targets (like the spike protein of SARS-CoV-2) and shipping them free of charge for research labs that are working on a SARS-CoV-2 related project.


If you work at a research group / CRO that is capable of carrying out experimental screening against SARS-CoV-2, please reach out to us with a brief description of your company/research project.


This is an urgent call, please write to us at info@mcule.com if interested!

Friday, December 13, 2019

Evidences for G4-DNA binding by an amino acid with anticancer activity

Congratulations to Fik-Jaskólka et al. for their recent paper presenting evidence for G4-DNA binding by a synthetic alkyne-containing amino acid with anticancer activity!
https://www.sciencedirect.com/science/article/abs/pii/S1386142519312740?via%3Dihub

Mcule cheminformatic team was honored to provide molecular docking support for this research!

Monday, June 12, 2017

New opportunities for academic research scientists


       As an online drug discovery platform, we have been helping pharmaceutical companies in the early phase of research processes. Although our compound sourcing solution and advanced computational tools have been continuously found helpful in the pharmaceutical industry, we are convinced that our capabilities could also be advantageous for academic research scientists.



   
       Mcule is the largest chemical webshop with more than 35 M compounds. In addition our platform contains multiple computational tools for searching and virtual screening, e.g. large-scale docking, scaffold hopping, diversity selection and property calculator. We intended to make our services easily available to use in academic research projects. We therefore introduced a subscription plan for academic researchers to get access to our advanced tools and higher limits for a reasonable price, even for short-term (1,3,6-month) projects.




     Moreover, with the help of our online price optimization algorithm one can easily finalize the virtual screening procedure by ordering the selected compounds. The best price and the fastest delivery time quotes are automatically calculated, and it is up to you which one you select. After generating a quote an effective price of products and suppliers will be displayed which could ease on your budget by removing the largest contributions to the price.

Get more information about the special pricing for academic users here,
https://mcule.com/pricing/.


Thursday, April 27, 2017

Ultimate Database Project

  Have you ever dreamt about the possibility to have access to the vast majority of molecules being relevant in the pharmaceutical industry?  Now it is finally becoming real. Mcule has introduced the idea of a super-sized chemical library and announced the start of the so-called ULTIMATE DATABASE PROJECT.

  Our aim is to create a database of 500 million compounds, which would include completely novel molecules predicted to be synthesizable but not yet synthesized. Compounds should meet the following standards to be considered in the Ultimate database: minimum of 80% success rate of synthesis, maximum of 6-week delivery time and fixed prices.


  A database of this size has yet to be made applicable for everyday use, and its integration with computational tools has always been a very challenging task due to the high demands of IT infrastructure to handle such a large size. However, using the online interface in our website one can easily access the full database, filter among the compounds, generate a quote, and complete the order. Thus, it has never been easier to identify more hits, eventually leading to reduced time and costs needed to be invested into the discovery of a new drug candidate.
By ourselves we wouldn’t be able to achieve our goals, therefore we seek supplier and custom molecular synthesis partners who would like to contribute to this great cause.

As for suppliers, our subscription form can be found here
For users, registration for an early access is available here.
Please see our website for more information, https://mcule.com/ultimate-project/.

Thursday, April 20, 2017

Needles in the haystack

Here is a short post on a recently published article discussing our Ultimate database project that is just about to launch (article is in Hungarian):

 Link to the article