From Fragments to Lead Candidates:A Nanome Visual Journey in MNK Kinase Research

Join Dr. Simon Bennie and Dr. Chido Mpamhanga as they narrate this innovative journey from low-affinity fragments to a low molecular weight highly selective lead candidate inhibitor of MNK. They will be using Staurosporine, a pan-kinase inhibitor, as a tool compound to help analyze the MNK ATP binding site. They will demonstrate how Nanome’s powerful molecular visualization & design software can be used to communicate and develop small molecules collaboratively and effectively
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The Mitogen-activated protein kinase (MAPK) interacting protein kinases (MNK) play a crucial role in phosphorylating and activating - eIF4, a key eukaryotic initiation factor in RNA translation. Growing evidence links MNKs to various metabolic diseases, including melanoma, diabetes, hyperlipidemia, and dementia. Over the last decade, this association has prompted exploration by scientists in pharma and biotech, such as Effector, LifeArc, and others, to investigate their potential as small molecule drug targets. The development of modulators and inhibitors of MNKs holds significant promise in impacting the treatment of these diseases. This research has led to the structure-based development of clinical candidates such as Tomivosertib, a small selective molecule ATP competitive inhibitor of MNK kinases, currently in phase two clinical trials for cancer.
In this Nanome VR Session, our scientists use the fragment-based discovery and development story behind the Effector compound Tomivosertib to illustrate in real-time how Nanome, by leveraging the power of bringing human 3D intuition into the ideation process, can be used to tell scientific narratives. We demonstrate how it is possible to:
Use advanced molecular visualization to enhance perception of key MNK interactions with small molecule inhibitors.
Harness the immersive environment to deepen understanding of structure-based factors required to develop better modulators of MNK, including:
Native autoinhibitory alternative conformations of the activation loop.
Pockets reordering induced by fragments binding.
Real-time visualization of novel interactions explored by designers to achieve new interactions, leading to novel and selective inhibitors.
Design in Nanome software for:
Better collaborations on scientific projects.
Communication of complex 3D data to project team members, managers and investors.
Nanome is the ultimate interface for scientific discovery, starting with molecular data. Top R&D labs conduct cutting-edge research and make billion-dollar decisions in Nanome. But, Nanome isn’t just for experts, it’s also used by students and amateur scientists studying chemistry and biology. Anyone can build 3D molecules or simulate an entire protein made of hundreds of atoms, all in one collaborative environment. Transform the way you learn, design, and communicate molecular structures with Nanome. Available on the new Meta Quest Pro.
Visit nanome.ai/setup to download Nanome
Get started today by downloading Nanome for free on:
1Oculus Rift/Rift S/Quest Link:
www.oculus.com...
SteamVR:
store.steampow...
Viveport
www.viveport.c...
App Lab:
www.oculus.com...
SideQuest:
sidequestvr.co...
To learn more visit:
www.nanome.ai
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Be sure to also check out our blockchain platform, Matryx, which will serve as the backend IP tracking mechanism for Nanome. More info at www.matryx.ai

[@Josephkerr101]

The potential for education is incredible. Ive learned ao much just watching this and I have only a rudimentary understanding of molecular chemistry.

[@InquilineKea]

how much of a differene is there really between 2.8A and 3.4A for hydrogen bonding? Or other forms of bonding?