BioSolveIT - Finest Software for Drug Discovery

02/09/2024

Access 2.4 trillion of drug-like molecules with infiniSee xREAL!
We are excited to release the terminal to Enamine Ltd. largest compound catalog that efficient mines the most relevant molecules based on the needs of the drug discovery project.
🟦 During the promotion event you can access all three search modes of infiniSee xREAL for free! Enough time to test its capacities in your projects.
🟦 Get a 10% on all compounds retrieved from xREAL till November 30.

Download and test infiniSee xREAL without any risks here:
https://www.biosolveit.de/products/infinisee_xreal/

20/08/2024

BioSolveIT and Enamine Ltd. are excited to announce infiniSee xREAL!
Efficiently access 2.4 trillion of drug-like molecules conveniently from your own hardware to retrieve relevant chemistry for your drug discovery projects.
No supercomputers, clusters or expensive cloud storage required.

infiniSee xREAL will be released on September 1st.
As part of the launch promotion, users will have free access to all three search modes during the event. Furthermore, a discount is offered on all compounds retrieved with the platform.

https://www.biosolveit.de/products/infinisee_xreal/

06/08/2024

Episode #2 of "What The Drug!?" is coming up!
The first try was a blast and this time we are excited to welcome a new guest who brings their own new challenge. Let's see how much we can achieve this time and leap into yet maybe unexplored drug discovery areas.

Save-the-date: Wed, 14 Aug 2024, 16:00 CEST (Berlin)
Register following the link 🔻

What happens when somebody asks you to do drug discovery? No preparation, no script, no nothing. Just live performing and sharing your thoughts. This is

30/07/2024

‼️ Important announcement: The beta testing stage for Chemical Space Docking ends August 31st, 2024 ‼️
If you want to experience the next level of structure-based virtual screening, now is your last chance. Chemical Space Docking allows you to perform efficient, in-house hit candidate assessment of billions or even trillions on your own hardware.

Apply and get your hands on the powerhouse for drug discovery projects today!

Deadline to Apply: August 31, 2024 Are you looking for the next big thing in drug discovery? Look no further than Chemical Space Docking™ — BioSolveIT's

01/07/2024

The increasing interest in designing drugs that covalently bind to their target can hardly be neglected. This little spreadsheet features 36 of the most common covalent warheads used in medicinal chemistry as well as their bound form after transformation.

Using this as the starting point, we have developed the covalent docking feature of our drug design platform SeeSAR to automatically detect and transform the functional groups during a run. In silico screening for potential leads has never been easier and more efficient.

You can test the feature yourself by downloading SeeSAR here:
https://www.biosolveit.de/download/?product=seesar

28/06/2024

There are two things that you may have missed in the past weeks: The most sophisticated covalent docking we have ever released featuring streamlined identification and transformation of warheads in SeeSAR 13.1 and the R group search in infiniSee 6.1.

Luckily, we got you covered and will give a throughout introduction to these and other new features in the upcoming webinar. You will be left with more insights to efficient Chemical Space exploration as well as some ideas how to implement them into your projects.

A webinar covering the new features of both recent release of the drug discovery software platforms.

25/06/2024

Here is your quick rundown on the just-released infiniSee 6.1 'Echo' update:
🟦 Introduction of R group search in the Motif Matcher
🟦 Generation of ad hoc libraries
🟦 Support of semi-metals (Ge, As, Sb, Te)
🟦 Distinct similarity columns in the Analyzer Mode
🟦 And many more

The Chemical Space navigation platform resonates with the needs of your project and gives you full control over the evaluation of the results. Screening trillion-sized compound collections in seconds on your go-to hardware has never been smoother and more sophisticated.
Read more about the update🔻

R group search is now supported in the Motif Matcher of infiniSee 6.1. Among several upgrades and augmentation, users will find this one to be the most

24/06/2024

A powerhouse for kinase inhibitor design: We are proud to release a fragment growing library containing over 51 thousand potential hinge binder motifs. Derived from our computationally validated set, BioSolveIT users now have access to the most diverse catalog of anchoring fragments for compound ideation and optimization.
Use cases involve sampling of motif replacements, improvement of ADME properties and screening for 3D guided scaffold hops for novel IPs.

The library is offered free-of-charge on our website and can be used right after download in SeeSAR or the command-line version of FastGrow.

Read more about the new FastGrow library 🔻
https://www.biosolveit.de/2024/06/24/new-fastgrow-library-51k-hinge-binding-motifs/

The kinase-focused dataset for FastGrow features over 51 thousand extension entries. Based on the previously reported Hinge Binder Collection, the set contains computationally validated fragments derived from reported bioactive compounds.

20/06/2024

The most sophisticated covalent docking out there features convenient transformation of 36 most commonly used covalent warheads in drug discovery. Set up your binding site, select your target residue and easily dock your library without complicated preprocessing or messy coding.
So far, we have received tremendously laudatory feedback on the smoothness and efficiency of the update.

Read more about the covered warheads, handling of stereochemistry and available customization 🔻

Covalent warhead transformation is automatically performed in SeeSAR for ligands, translating them into their target-bound form.

10/06/2024

Gazing at ML-193, a GPR55 antagonist: This GPCR ligand displays nanomolar inhibition with an improved selectivity profile over other related receptors. Furthermore, a total of three Chemical Spaces feature ML-193 as an exact match, among other relevant compounds in the remaining.

31/05/2024

Tovorafenib received an FDA approval a few weeks ago and is now the star of this week's 'Gaze into Chemical Space'. Certainly more associated building blocks will become available with the increased interest in this scaffold which will improve the variety of results in the future.

29/05/2024

Hold onto your seats because our next webinar is a wild card!
In 'What The Drug!?' we do a on-hands session on a drug discovery challenge that is revealed at the beginning of the stream. No script, no preparations. Just a target and some scientists doing drug design commenting their decisions and ideas.
Excited to see what can be done in a short time frame? Tune in on Thursday June 13th at 4 pm (CEST, Berlin time)!



https://www.biosolveit.de/webinar/what-the-drug-drug-design-challenge-live-stream/