Moustafa Tarek Gabr

This study identifies a new small molecule scaffold that modulates TREM2 signaling through fragment-based drug discovery and SAR analysis.

The paper identifies MA48 as a small molecule inhibitor of CAPON-nNOS interaction through screening and validation, suggesting its potential as a therapeutic target for neurodegenerative diseases.

The paper develops a NanoBiT-based assay for high-throughput screening of NOS1-CAPON interaction inhibitors, identifying 19 compounds with IC50 values below 30 M.

This paper optimizes a CHI3L1 inhibitor, G721-0282, to improve potency and drug-like properties, demonstrating functional efficacy in reversing astrocytic dysfunction in Alzheimer's disease.

Deep Docking virtual screening of over five million compounds and structure-activity optimization yielded T2M-010, a submicromolar small-molecule TREM2 agonist that induces SYK phosphorylation and microglial phagocytosis.

This paper identifies a small molecule TREM2 modulator, EN020, that enhances microglial phagocytosis better than a known agonist.

This paper identifies a small molecule inhibitor of CHI3L1, DEL-C1, which modulates neuroinflammation in Alzheimer's disease through multiple validated mechanisms.

This study identifies a CHI3L1 inhibitor, compound 9e, through structure-based virtual screening of a large chemical space, showing efficacy in a 3D GBM model.

The paper designs cyclic peptides targeting TREM2 using AI tools and validates their binding and stability.

This paper identifies Z17 as a selective CHI3L1 inhibitor that restores astrocytic function and mitigates neuroinflammation in Alzheimer's disease.

As48 is a small molecule that activates TREM2 and inhibits its shedding, offering a dual mechanism to enhance microglial function in Alzheimer's disease.

HTS-Oracle uses AI to prioritize small molecule hits for challenging immune targets, reducing screening needs and increasing hit rates significantly.

This paper identifies two small molecule CD28 inhibitors using AS-MS and validates their ability to block CD28-B7 interactions and suppress T cell activation in co-culture models.

This paper identifies first-in-class small molecule agonists of TREM2 through DEL screening, validates their binding and function, and suggests a novel activation mechanism.

This study identifies the first small-molecule binder of CAPON using AS-MS screening and validates its binding affinity.

This study identifies small molecule inhibitors of CHI3L1 using SPR-based screening, showing functional activity in a GBM spheroid model.

This study identifies two small molecule CHI3L1 inhibitors using virtual screening and validates their activity in glioblastoma spheroids.

This paper develops an SPR-based HTS workflow to identify CD28-targeted small molecules, finding three compounds with micromolar affinities and functional inhibition of CD28-CD80 interaction.

This paper uses affinity selection-mass spectrometry to identify small molecule binders of CHI3L1, finding one compound with moderate affinity that validates the approach for targeting this protein.

This study identifies BPU11, a small molecule CD28 antagonist that disrupts CD28-B7 interactions and suppresses T-cell activation, offering a new approach to immune checkpoint blockade.

This study designs and validates the first-in-class PROTACs for LAG-3 degradation, showing dose-dependent reduction in LAG-3 protein levels in Raji-LAG3 cells.

This study develops a TRIC-based HTS platform to identify CHI3L1-targeted small molecules, finding three compounds with varying binding and inhibitory effects on CHI3L1.

This paper identifies and optimizes a potent small molecule LAG-3 inhibitor using DNA-encoded chemical library screening for cancer immunotherapy.

This paper identifies two small-molecule hits targeting the nNOS/CAPON interface using virtual screening and introduces computational tools for structure-based drug discovery.

This paper develops a high-throughput screening platform to identify small molecule TREM2 binders using TRIC technology, finding four validated hits with moderate binding affinities.

HTS-Oracle improves hit identification for difficult-to-drug targets by using a deep learning platform that integrates molecular embeddings and cheminformatics features, achieving an 8.4% hit rate with reduced screening costs.

This paper identifies a novel druggable site on CD28 and discovers 22VS, a small molecule inhibitor that suppresses T cell activation in co-culture models, with favorable pharmacokinetic properties.

This paper identifies G28 as a potent CHI3L1 inhibitor through virtual screening, validates its binding affinity, and shows its efficacy in reducing GBM spheroid growth.

This paper presents a high-throughput screening platform combining TRIC and TR-FRET to identify SLIT2 binders, finding bexarotene as a potent inhibitor with a KD of 2.62 μM.

This paper describes the discovery of C1, an achiral TREM2 agonist with improved pharmacokinetics and validated target engagement compared to VG-3927.