IDEAYA Biosciences Announces Collaboration with ATTMOS to Accelerate AI/ML-Enabled Drug Discovery for Unprecedented First-in-Class Oncology Targets
IDEAYA Biosciences (NASDAQ: IDYA) has announced a research collaboration with ATTMOS to enhance its drug discovery capabilities for first-in-class oncology targets. The partnership aims to develop a physics-based computational platform for small molecule discovery, focusing on targets currently considered undruggable.
The collaboration will combine IDEAYA's expertise in structural biology and pharmaceutical drug discovery with ATTMOS's capabilities in computational chemistry, high-performance computing, and software development. The primary goal is to create a workflow solution for high-throughput absolute binding free energy perturbation predictions (ABFEP) of drug candidate molecules.
The initiative will utilize the Amber molecular dynamics suite for GPU-accelerated free energy simulations. IDEAYA will leverage its wet-lab drug discovery campaign data to train and evaluate ABFEP-based active learning cycles, enabling efficient screening of chemical libraries for novel small molecule ligands.
IDEAYA Biosciences (NASDAQ: IDYA) ha annunciato una collaborazione di ricerca con ATTMOS per migliorare le proprie capacità di scoperta di farmaci per obiettivi oncologici innovativi. L'obiettivo della partnership è sviluppare una piattaforma computazionale basata sulla fisica per la scoperta di piccole molecole, concentrandosi su obiettivi attualmente considerati non trattabili.
La collaborazione unirà l'expertise di IDEAYA nella biologia strutturale e nella scoperta di farmaci con le capacità di ATTMOS nella chimica computazionale, nel calcolo ad alte prestazioni e nello sviluppo software. L'obiettivo principale è creare una soluzione di flusso di lavoro per previsioni di perturbazione dell'energia libera di legame assoluto ad alta capacità (ABFEP) delle molecole candidati farmaci.
L'iniziativa utilizzerà il pacchetto di dinamica molecolare Amber per simulazioni di energia libera accelerate da GPU. IDEAYA sfrutterà i dati della sua campagna di scoperta di farmaci in laboratorio per addestrare e valutare cicli di apprendimento attivo basati su ABFEP, consentendo uno screening efficiente di librerie chimiche per nuovi ligandi a piccole molecole.
IDEAYA Biosciences (NASDAQ: IDYA) ha anunciado una colaboración de investigación con ATTMOS para mejorar sus capacidades de descubrimiento de fármacos para objetivos oncológicos de primera clase. La asociación tiene como objetivo desarrollar una plataforma computacional basada en la física para el descubrimiento de pequeñas moléculas, centrándose en objetivos actualmente considerados no tratables.
La colaboración combinará la experiencia de IDEAYA en biología estructural y descubrimiento de fármacos con las capacidades de ATTMOS en química computacional, computación de alto rendimiento y desarrollo de software. El objetivo principal es crear una solución de flujo de trabajo para predicciones de perturbación de la energía libre de unión absoluta (ABFEP) de moléculas candidatas a fármacos.
La iniciativa utilizará el conjunto de dinámicas moleculares Amber para simulaciones de energía libre aceleradas por GPU. IDEAYA aprovechará los datos de su campaña de descubrimiento de fármacos en laboratorio para entrenar y evaluar ciclos de aprendizaje activo basados en ABFEP, permitiendo un cribado eficiente de bibliotecas químicas para nuevos ligandos de pequeñas moléculas.
IDEAYA Biosciences (NASDAQ: IDYA)는 ATTMOS와의 연구 협력을 발표하며 최초의 항암제 타겟에 대한 약물 발견 능력을 강화할 계획입니다. 이 파트너십의 목표는 현재 약물 개발이 불가능한 것으로 간주되는 타겟에 초점을 맞춘 소분자 발견을 위한 물리 기반 계산 플랫폼을 개발하는 것입니다.
이 협력은 IDEAYA의 구조 생물학 및 제약 약물 발견 전문 지식과 ATTMOS의 계산 화학, 고성능 컴퓨팅 및 소프트웨어 개발 능력을 결합합니다. 주요 목표는 약물 후보 분자의 절대 결합 자유 에너지 섭동 예측(ABFEP)을 위한 고처리량 워크플로우 솔루션을 만드는 것입니다.
이 이니셔티브는 GPU 가속 자유 에너지 시뮬레이션을 위해 Amber 분자 역학 패키지를 활용합니다. IDEAYA는 실험실에서의 약물 발견 캠페인 데이터를 활용하여 ABFEP 기반의 능동 학습 사이클을 훈련하고 평가하여 새로운 소분자 리간드를 위한 화학 라이브러리의 효율적인 스크리닝을 가능하게 합니다.
IDEAYA Biosciences (NASDAQ: IDYA) a annoncé une collaboration de recherche avec ATTMOS pour améliorer ses capacités de découverte de médicaments pour des cibles oncologiques de première classe. Le partenariat vise à développer une plateforme computationnelle basée sur la physique pour la découverte de petites molécules, en se concentrant sur des cibles actuellement considérées comme non traitables.
La collaboration combinera l'expertise d'IDEAYA en biologie structurale et en découverte de médicaments avec les capacités d'ATTMOS en chimie computationnelle, en calcul haute performance et en développement de logiciels. L'objectif principal est de créer une solution de flux de travail pour les prédictions de perturbation de l'énergie libre de liaison absolue (ABFEP) des molécules candidates à médicaments.
L'initiative utilisera le logiciel de dynamique moléculaire Amber pour des simulations d'énergie libre accélérées par GPU. IDEAYA tirera parti des données de sa campagne de découverte de médicaments en laboratoire pour former et évaluer des cycles d'apprentissage actif basés sur ABFEP, permettant un criblage efficace des bibliothèques chimiques pour de nouveaux ligands à petites molécules.
IDEAYA Biosciences (NASDAQ: IDYA) hat eine Forschungskooperation mit ATTMOS angekündigt, um seine Fähigkeiten zur Entdeckung von Arzneimitteln für neuartige onkologische Zielstrukturen zu verbessern. Ziel der Partnerschaft ist die Entwicklung einer physikbasierten Berechnungsplattform für die Entdeckung kleiner Moleküle, die sich auf derzeit als nicht behandelbar geltende Zielstrukturen konzentriert.
Die Zusammenarbeit wird IDEAYAs Fachwissen in der strukturellen Biologie und der Arzneimittelentdeckung mit den Fähigkeiten von ATTMOS in der computergestützten Chemie, Hochleistungsrechnen und Softwareentwicklung kombinieren. Das Hauptziel besteht darin, eine Workflow-Lösung für hochdurchsatzfähige Vorhersagen der absoluten Bindungsfreiheitsenergie-Änderung (ABFEP) von Arzneimittelkandidaten zu schaffen.
Die Initiative wird das Amber-Molekulardynamik-Paket für GPU-beschleunigte Simulationen der freien Energie nutzen. IDEAYA wird die Daten seiner Laborforschungs-Kampagne nutzen, um ABFEP-basierte aktive Lernzyklen zu trainieren und zu bewerten, was eine effiziente Durchsicht chemischer Bibliotheken für neuartige kleine Molekül-Liganden ermöglicht.
- Development of innovative drug discovery platform for previously undruggable targets
- Strategic partnership enhancing computational capabilities
- Potential to accelerate drug development process
- Access to advanced GPU-accelerated simulation technology
- Early-stage technology with unproven commercial success
- Implementation timeline and costs not disclosed
- No immediate revenue impact
Insights
IDEAYA's collaboration with ATTMOS marks a significant technical advancement in their AI-driven drug discovery capabilities, focusing specifically on what they term as "undruggable" oncology targets. This partnership addresses a critical limitation in current computational approaches that typically work only for established target classes or previously drugged proteins.
What distinguishes this collaboration is its focus on absolute binding free energy perturbation predictions (ABFEP) - essentially the gold standard in computational chemistry for predicting how strongly potential drug molecules will bind to protein targets. The key innovation is scaling this highly accurate but computationally intensive approach to work at the throughput needed for modern drug discovery, potentially giving IDEAYA a competitive edge in discovering truly novel oncology therapeutics.
By leveraging IDEAYA's existing wet-lab validation data and ATTMOS's computational expertise, this partnership aims to overcome the high failure rates typically seen when applying AI methods to unprecedented targets. While the immediate financial impact is minimal, this collaboration represents a strategic enhancement of IDEAYA's technological platform that could significantly expand their addressable target space in oncology and potentially accelerate their early pipeline development timelines.
The collaboration will integrate IDEAYA's differentiated and proven capabilities in structural biology and pharmaceutical drug discovery across multiple first-in-class oncology targets with ATTMOS's capabilities in computational chemistry method development, high performance computing, and software development. The focus of the partnership will be to engineer and optimize a workflow solution for high-throughput absolute binding free energy perturbation predictions (ABFEP) of first-in-class drug candidate molecules. This approach enables application of gold-standard physics-based statistical mechanics calculations of protein-ligand affinities at the scale required for virtual screens and represents what could become the industry's go-to standard for high-speed and high probability-of-success drug hit-finding against structurally-enabled novel biological targets.
"Current AI/ML-enabled drug discovery approaches have been largely applied to either already drugged targets or well-understood biological target classes and often fail when applied to first-in-class target opportunities. IDEAYA continues to enhance its computational drug discovery capabilities to pursue first-in-class oncology targets that are perceived as undruggable," said Michael White, Ph.D., Chief Scientific Officer, IDEAYA Biosciences. "Our partnership with ATTMOS will enable us to apply the principles of engineering to the field of drug discovery, at scale, for efficient prosecution of unprecedented oncology targets," said Paul Barsanti, Ph.D., Chief Technology Officer, IDEAYA Biosciences.
The collaboration will leverage the Amber molecular dynamics suite as the GPU-accelerated back-end free energy simulation engine. IDEAYA will train and evaluate ABFEP-based active learning cycles based on extensive ground-truth data sets derived from its successful wet-lab drug discovery campaigns against novel targets. These models will be used to screen enormous libraries of synthetically tractable chemical space for accurate and efficient de novo discovery of small molecule ligands for new targets. The work aims to overcome the limitations of current virtual screening approaches and accelerate the discovery of novel small molecule oncology therapeutics that address unmet clinical need.
About IDEAYA Biosciences
IDEAYA is a precision medicine oncology company committed to the discovery and development of targeted therapeutics for patient populations selected using molecular diagnostics. IDEAYA's approach integrates capabilities in identifying and validating translational biomarkers with drug discovery to select patient populations most likely to benefit from its targeted therapies. IDEAYA is applying its research and drug discovery capabilities to synthetic lethality – which represents an emerging class of precision medicine targets.
About ATTMOS
ATTMOS was founded in early 2022 by a diverse team of academics from Michigan State, Rutgers and UC San Diego. ATTMOS's mission is to bring novel technologies into the drug discovery process through a synergy between industry and academia and make this technology affordable and available to everybody.
Forward-Looking Statements
This press release contains forward-looking statements, including, but not limited to, statements related to the timing of ability to discover novel and potentially first-in-class small molecule oncology therapeutics. Such forward-looking statements involve substantial risks and uncertainties that could cause IDEAYA's preclinical and clinical development programs, future results, performance or achievements to differ significantly from those expressed or implied by the forward-looking statements. Such risks and uncertainties include, among others, the uncertainties inherent in the drug development process, including IDEAYA's programs' early stage of development, the process of designing and conducting preclinical and clinical trials, the regulatory approval processes, the timing of regulatory filings, the challenges associated with manufacturing drug products, IDEAYA's ability to successfully establish, protect and defend its intellectual property, and other matters that could affect the sufficiency of existing cash to fund operations. IDEAYA undertakes no obligation to update or revise any forward-looking statements. For a further description of the risks and uncertainties that could cause actual results to differ from those expressed in these forward-looking statements, as well as risks relating to the business of IDEAYA in general, see IDEAYA's Annual Report on Form 10-K dated February 18, 2025 and any current and periodic reports filed with the
Investor and Media Contact
IDEAYA Biosciences
Andres Ruiz Briseno
SVP, Head of Finance and Investor Relations
investor@ideayabio.com
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SOURCE IDEAYA Biosciences, Inc.
FAQ
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