Florida scientists train AI to identify drugs' impact on cellular targets

In Jupiter, Florida, a team of researchers led by neuroscientist Kirill Martemyanov, Ph.D. from The Herbert Wertheim UF Scripps Institute for Biomedical Innovation & Technology has successfully trained an AI system to predict how drugs will impact the largest family of cellular targets with over 80% accuracy. This cutting-edge research has the potential to revolutionize the field of precision medicine.

Traditionally, prescribing medication has been a one-size-fits-all approach, with doctors relying on trial and error to determine which drugs will work for individual patients. However, this approach can lead to ineffective or harmful outcomes as people have significant genetic variability in their cell receptors. To address this, Martemyanov's team utilized molecular tracking technology and AI to profile the action of over 100 cellular drug targets, including genetic variations.

The researchers gathered data from a decade of experimentation and an extensive collection of information on G protein-coupled receptors (GPCRs) behavior, which are responsible for a third of all drug responses. GPCRs play a vital role in pain relief, allergies, blood pressure regulation, and other biological activities. By training the AI algorithm using this comprehensive dataset, the scientists achieved an impressive 80% accuracy in predicting how GPCRs would respond to drug-like molecules.

Martemyanov emphasized the importance of understanding the complexity of GPCRs, stating, "We all think of ourselves as more or less normal, but we are not. We have tremendous variability in our cell receptors. If doctors don’t know what exact genetic alteration you have, you just have this one-size-fits-all approach to prescribing, so you have to experiment to find what works for you."

The team's research also led to the discovery of surprising differences in how mutated GPCRs responded to stimuli. This additional knowledge has opened up new possibilities for tailored prescriptions and the design of truly personalized medications.

Martemyanov credited the collaboration with computational protein designer Bruno E. Correia, Ph.D., and researcher Ikuo Masuho, Ph.D., as instrumental in the development of the AI algorithm. Their combined expertise and a decade-long dataset helped the researchers overcome the previous lack of accurate and detailed GPCR activity information.

The successful outcomes of this study could have significant implications for drug development and patient safety. By adopting a more sophisticated understanding of GPCRs and their interactions with drugs, pharmaceutical companies could create safer medications more quickly and at a lower cost. The next step for the research team is to investigate how individual genetic variations affect the response to GPCR-acting drug-like compounds.

"Our ultimate goal is to predict how individual genetic variations respond to drugs, allowing for the custom tailoring of prescriptions and paving the way for precision medicine," said Martemyanov.

The study, titled "Rules and mechanisms governing G protein coupling selectivity of GPCRs," was authored by Ee Von Moo, Xiaona Li, and Hideko Wakasugi-Masuho from The Wertheim UF Scripps Institute, Ryoji Kise and Ryosuke Tany from Sanford Research, and Pablo Gainza from the École Polytechnique Fédérale de Lausanne and Swiss Institute of Bioinformatics in Lausanne, Switzerland.

The research received funding from the National Institutes of Health through grants DA036596 and MH105482, as well as from the Swiss National Science Foundation and startup funding from Sanford Research.

Precision medicine is making significant progress, which has the potential to greatly impact patient care and improve health outcomes. This innovative AI-powered approach creates new possibilities for personalized drug treatment, bringing us closer to a future where medications are customized based on an individual's genetic makeup.

Giant planets threaten habitable zones, UCR simulations show

New research shows how giant gas planets harm habitable planets.

In a new study, UC Riverside researchers have demonstrated the harmful impact of giant planets on their Earth-like counterparts in other star systems. Unlike Jupiter, which protects our solar system, these giant planets cause chaos by displacing smaller planets from their orbits and disrupting their climates.

The study focuses on the HD 141399 star system, which serves as an excellent model for comparison with our solar system. The gravitational pull of the four giants in this system destabilizes the orbits of neighboring rocky planets. Multiple supercomputer simulations reveal that only a few areas within the habitable zone, which is defined as the range of distances from a star that allows for liquid water, have the potential to maintain stable Earth-like planets. In the film Melancholia (2011), Earth collides with a planet that enters the solar system. It illustrates how an Earth-like planet can be kicked out of its habitable zone. (Zentropa Entertainments)

Lead author and UC Riverside astrophysicist, Stephen Kane, explains that only a select few areas within the habitable zone are safe from the giants' gravitational pull, which would otherwise knock a rocky planet out of its orbit and send it flying right out of the zone.

A second paper focuses on the star system GJ 357, located just 30 light years away from Earth. Although a planet named GJ 357 d resides within the habitable zone of this system, recent measurements suggest it may be larger than initially believed. This raises concerns about its terrestrial nature and its ability to support life as we know it. The study warns that if GJ 357 d is indeed significantly larger, it would prevent other Earth-like planets from coexisting within the habitable zone, forcing their orbits to become highly elliptical.

Co-author Tara Fetherolf, a UCR planetary science postdoctoral scholar, emphasizes that this paper is a warning not to assume that planets in the habitable zone are automatically capable of hosting life.

The study shows how rare the circumstances required to host life in the universe are. It is a reminder of how fortunate we are to have a planetary configuration that supports stability and the potential for life in our solar system.

While Jupiter safeguards our planet from comets and asteroids, creating a stable environment for life on Earth, the research reveals the vulnerability of other star systems. The presence of giant gas planets does not guarantee the protection or sustainability of neighboring Earth-like exoplanets.

These findings contribute to the ongoing quest for understanding the conditions necessary for life elsewhere in the universe. The research study is a groundbreaking stepping stone in our pursuit to unravel the mysteries of distant star systems and the potential habitability of exoplanets.

German researchers demo solution for spintronics, storage

A team of researchers from the Paul Drude Institute in Berlin, Germany, and Xiamen University in China, has recently published a paper about a potential solution to a long-standing challenge in developing magnetic materials. They demonstrated how ferrimagnetic NiCo2O4 (NCO) could offer a robust out-of-plane magnetism, with a range of magnetic and electrical characteristics that could be tailored to suit different requirements.

The team explained that developing magnetic materials with a robust perpendicular magnetic anisotropy (PMA) is essential, as high-density memory superlattice structures rely on thin individual layers to realize PMA. The findings suggest that having materials with robust PMA in relatively thick films is a more cost-effective and practical method of device fabrication. NiCo2O4 showed these capabilities and offered flexibility in terms of tunability, making it an ideal candidate for a range of potential spintronic applications to enhance high-density memories beyond currently used antiferromagnetic materials.

The insights gained into magnetotransport phenomena and tunable magnetic properties offer much potential for future research, leading to the design of novel spintronic applications and advancements in the industrial development of high-density memories. The findings of Hua Lv, Xiao Chun Huang, Kelvin H. L. Zhang, Oliver Bierwagen, and Manfred Ramsteiner have broad, highly relevant implications for scientific research, and industrial, and societal applications. It is hoped that more research will be conducted to build on what has already been discovered.

Professor Lucie Tajčmanová, Heidelberg University, examines the whiteschist sample from the Dora Maira Massif of the Western Alps. Photo: Sebastian Cionoiu, Heidelberg University
Professor Lucie Tajčmanová, Heidelberg University, examines the whiteschist sample from the Dora Maira Massif of the Western Alps. Photo: Sebastian Cionoiu, Heidelberg University

Goethe University sheds light on the dynamics of plate movements in the Earth's interior by modeling Alpine rock

Understanding how plates move within the Earth's mantle and how mountains are formed is a complex task. However, researchers have found a way to obtain crucial answers through the analysis of certain rocks that have sunk deep into the Earth's interior and then returned. The Geosciences Department at Goethe University Frankfurt led a study that comprehensively analyzed whiteschist from the Alps using supercomputer modeling, which has led to questioning a previous theory about plate movement.

Geoscientists can reconstruct the movement of rocks in mountain belts by studying their journey from the depths of the Earth to the surface. This history of burial and exhumation reveals the mechanisms of plate tectonics and mountain building. Certain rocks that sink far down into the Earth's interior together with plates undergo Ultra-High Pressure (UHP) metamorphosis, where silica in the rock becomes coesite, making it denser. As the plates move upwards again from the depths, these UHP rocks come to the surface and can be found in certain places in the mountains. The rocks' mineral composition provides information about the pressures they underwent during their vertical journey through Earth's interior.

A new study by researchers at Goethe University Frankfurt, the University of Heidelberg, and the University of Rennes in France, challenges the previous assumption of a long, continuous ascent of rocks from a depth of 120 kilometers to the surface. The study analyzed whiteschist from the Dora Maira Massif in the Western Alps, Italy, and highlights rapid decompression, raising concerns that the long continuous ascent presumed by previous research may not occur.

The most significant discovery from the study is the spoke-shaped cracks that extend from the SiO2 inclusions found in all directions. The cracks result from the phase transition from coesite to quartz, causing a substantial change in volume and geological stresses in the rock. These stresses fracture the garnet around the SiO2 inclusions. According to Thibault Duretz, Head of the Geodynamic Modeling Working Group at the Department of Geosciences and one of the study's authors, "At such temperatures, garnet only stays very strong if the pressure drops very quickly." On a geological scale, this quick drop in pressure lasts from thousands to hundreds of thousands of years. Therefore, the pressure must have dropped from 4.3 to 1.1 gigapascals in this short period. Duretz and the other researchers' findings indicate that the whiteschist under examination lay at a depth of only 60 to 80 kilometers.

In conclusion, this new study challenges previous findings and shows that rapid tectonic processes can lead to minimal vertical plate displacements. The findings suggest that rock units do not move continuously upward over a great distance from the deep depths of 120 kilometers to the surface. Instead, they presumably jerk upward, leading to a decrease in pressure that causes UHP rocks to come to the surface. Studying the movements of these specific rocks can provide vital information about the Earth's interior.

The Laser Communications Relay Demonstration (LCRD) launched in December 2021. Together, LCRD and ILLUMA-T will complete NASA’s first bi-directional end-to-end laser communications system. Photo credit: Dave Ryan
The Laser Communications Relay Demonstration (LCRD) launched in December 2021. Together, LCRD and ILLUMA-T will complete NASA’s first bi-directional end-to-end laser communications system. Photo credit: Dave Ryan

NASA demos first two-way end-to-end laser communications system

NASA has achieved a significant breakthrough by creating a two-way end-to-end laser communications relay system. This system is being demonstrated on the International Space Station (ISS), with the Integrated Laser Communications Relay Demonstration Low Earth Orbit User Modem and Amplifier Terminal (ILLUMA-T) featuring as a technology demonstration.

Laser communications use invisible infrared light to send and receive information at higher data rates. This technology allows spacecraft to send more data back to Earth in a single transmission, which speeds up the arrival of data for researchers.

NASA's Space Communications and Navigation (SCaN) program manages this system. The ILLUMA-T payload was launched into space in November 2021 and installed on the ISS's exterior. The optical module of ILLUMA-T, consisting of a telescope and two-axis gimbal, points and tracks the Laser Communications Relay Demonstration (LCRD) satellite in geosynchronous orbit.

ILLUMA-T relays data from the ISS to LCRD at a rate of 1.2 gigabits per second. LCRD then sends the data down to optical ground stations in California and Hawaii. Once the data reaches these ground stations, it is sent to the LCRD Mission Operations Center in Las Cruces, New Mexico. The ILLUMA-T ground operations teams at NASA's Goddard Space Flight Center in Maryland determine whether the data sent through the end-to-end relay process is accurate and of high quality.

The main benefit of this system is that it provides enhanced data rates for experiments conducted on the ISS. By facilitating more data transfer, researchers can achieve more breakthrough discoveries. At 1.2 Gbps, the ILLUMA-T/LCRD end-to-end laser communication relay system can transfer the equivalent amount of data in an average movie in under a minute.

Moreover, this system can help improve network capabilities like delay/disruption tolerant networking (DTN) over laser links and improve navigation capabilities. Laser communications are proving to be an essential technology for NASA's space communications networks and will likely be integrated into the Near Space Network and Deep Space Network.

In conclusion, the ILLUMA-T/LCRD end-to-end laser communications relay system is a significant achievement for NASA. It provides enhanced data rates for critical experiments conducted aboard the ISS and demonstrates the benefits of laser communications systems for both near-Earth and deep-space exploration. This technology will likely soon be integrated into NASA's space communication networks.

If you are a mission planner interested in using laser communications, please reach out to the Space Communications and Navigation program at NASA Headquarters in Washington.