Hossam Nada

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

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

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.

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

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 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.

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.

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

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 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 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.

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

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

This paper discovers and validates a first-in-class small molecule inhibitor of the SLIT2/ROBO1 interaction using DNA-encoded library screening and demonstrates its functional inhibition and ADME properties.