Moustafa Tarek Gabr

This paper identifies and optimizes a molecular glue that stabilizes the NOS1AP-SCRIB interaction, showing therapeutic effects in Alzheimer's patient-derived neurons.

CAPTOR-1, a small molecule inhibitor of NOS1AP-tau interaction, reduces tau pathology and improves cognition in AD models.

This study identifies small molecule inhibitors of ILT3 using AS-MS, showing they improve cognition and reduce amyloid in Alzheimer's disease models.

This study identifies cyclic peptide ligands targeting CAPON, showing reduced neuronal toxicity and tau phosphorylation under Alzheimer's disease stress conditions.

This study identifies small molecule modulators of ILT3, a myeloid immune checkpoint, showing anti-tumor efficacy in preclinical models.

A CD28-selective small molecule blocks pathogenic T cell activation and preserves Treg function unlike Abatacept in IBD models.

ClinOracle uses a hierarchical graph neural network to predict target binding and patient-derived functional activity, improving compound prioritization through a Priority Score combining translational probability and developability.

This study identifies cyclic peptides that bind TREM2 and modulate microglial responses under amyloid stress, suggesting their potential as neuroimmune therapeutics.

This study identifies GL-4512, a small molecule modulator of LILRB4, which restores anti-tumor immunity in vivo and in patient-derived cells by disrupting immunosuppressive signaling.

HTS-Oracle X uses deep learning to identify small molecule binders of immune checkpoint proteins with high enrichment and sub-micromolar affinity.

HTS-Oracle v2 improves hit discovery for immunotherapy targets by selecting fewer compounds for experimental testing while maintaining high validation rates.

This study identifies APX1 as a small molecule that targets LILRB4, modulating microglial immune suppression and improving AD symptoms in a mouse model.

OracleScreen-LILRB4 identifies small molecule binders of LILRB4 using machine learning, achieving high hit rates and validating compounds in patient-derived cells.

This paper introduces AtlasNMR, a framework using NMR ensembles to identify small molecules targeting dynamic protein-protein interfaces, demonstrating its effectiveness with the nNOS PDZ domain.

This study uses HT-CETSA to identify small molecule modulators of ILT3, showing functional activity in human iPSC-derived microglia for Alzheimer's disease.

This paper identifies small molecule inhibitors of LILRB4 that reduce amyloid pathology and improve cognition in a mouse model of Alzheimer's disease.

This study uses AI-enhanced virtual screening to identify potent CD28 binders from a large chemical library, achieving submicromolar affinity and functional blockade.

The paper develops a TR-FRET assay to identify small molecule inhibitors of the LILRB4-SCG2 immune checkpoint interaction, identifying two compounds with dose-dependent inhibition.

This paper identifies S9, a small molecule TREM2 agonist that reprograms microglia and protects synapses in Alzheimer's models, showing therapeutic potential.

This paper designs AI-generated cyclic peptides that modulate the CD28 immune checkpoint with controllable pharmacology and therapeutic efficacy in preclinical models.

This paper identifies two small molecule binders of ROBO2 through virtual screening and experimental validation, showing they bind with measurable affinity.

This study discovers and optimizes small molecule inhibitors of the SLIT2/ROBO1 protein-protein interaction using DNA-encoded libraries, achieving improved binding affinity and functional potency.

The paper optimizes a CHI3L1 inhibitor to improve pharmacokinetics and functional activity in 3D glioblastoma models, resulting in a more effective compound with better solubility and stability.

The paper assesses the ligandability of the LAG-3 D1 domain using molecular dynamics, virtual screening, and biochemical assays, identifying a small-molecule inhibitor with micromolar affinity.

This study introduces CP8, a cyclic peptide that effectively blocks CD28 co-stimulation and allows rapid restoration of T-cell function, outperforming existing biologics under exposure-limited conditions.

This paper computationally designs and experimentally validates macrocyclic peptides that inhibit SLIT2/ROBO1 interaction, showing promising in vitro properties.

LigandForge generates structure-guided de novo ligands using cheminformatics and visualization tools, refining molecules with reinforcement learning and genetic algorithms.

This paper identifies BA59, an androstane-triol derivative, as a potent immunomodulator that reduces disease severity in experimental autoimmune encephalomyelitis by modulating T cell balance and antigen-presenting cell function.

This paper uses fragment-based screening to identify small molecules that bind to the CD28 receptor, demonstrating a successful approach for targeting its PPI interface.

This study identifies a binding site for the TREM2 agonist VG-3927 within the ectodomain hydrophobic groove and shows that Aβ1-42 competes with VG-3927 for binding.