selected publications
- Overcoming the undruggable barrier: Structure-guided discovery of a potent small molecule CD28 antagonist with translational potential. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2025 Academic Article GET IT
- Restoring Amyloid Clearance via Astrocytes: Z17 Is a Selective Inhibitor of CHI3L1 in Alzheimers Disease. 2025 GET IT
- Using biophysical techniques to enhance Early-Stage Drug discovery: the impact and challenges. Expert opinion on drug discovery. 2025 Editorial Article GET IT
- As48, a first-in-class dual-function TREM2 modulator: Receptor activation and shedding inhibition. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2025 Academic Article GET IT
- HTS-Oracle: Experimentally validated AI-enabled prioritization for generalizable small molecule hit discovery. 2025 GET IT
- High-Throughput Fragment Screening Identifies a New Small Molecule Scaffold that Modulates TREM2 Signaling. 2025 GET IT
- An Integrated Biophysical Fragment Screening Approach Identifies Novel Binders of the CD28 Immune Receptor. 2025 GET IT
- Discovery of CD28-Targeted Small Molecule Inhibitors of T Cell Co-Stimulation Using Affinity Selection-Mass Spectrometry (AS-MS) and Ex Vivo Validation. Journal of medicinal chemistry. 2025 Academic Article GET IT
- TREM2 activation by first-in-class direct small molecule agonists: DEL screening, optimization, biophysical validation, and functional characterization. European journal of medicinal chemistry. 2025 Academic Article GET IT
- Identification of a First-In-Class Small Molecule CAPON Binder Using Affinity Selection-Mass Spectrometry Screening. 2025 GET IT
- Targeting CAPON to modulate the CAPON-NOS Axis: a computational approach. Computational and structural biotechnology journal. 2025 Academic Article GET IT
- Discovery of small molecule CHI3L1 inhibitors by SPR-based high-throughput screening. Bioorganic & medicinal chemistry letters. 2025 Academic Article GET IT
- Surface Plasmon Resonance (SPR)-Based Workflow for High-Throughput Discovery of CD28-Targeted Small Molecules. ACS omega. 2025 Academic Article GET IT
- Discovery of a CHI3L1-Targeted Small Molecule Modulating Neuroinflammation in Alzheimer's Disease via DNA-Encoded Library (DEL) Screening †. 2025 GET IT
- Affinity Selection-Mass spectrometry coupled with biophysical validation enables proof-of-concept discovery of CHI3L1 binders. Biochemical and biophysical research communications. 2025 Academic Article GET IT
- Affinity Selection-Mass Spectrometry Coupled with Biophysical Validation Enables Proof-of-Concept Discovery of CHI3L1 Binders. 2025 GET IT
- Structure-Guided Optimization and Functional Characterization of Small Molecule Antagonists Targeting CD28 Costimulation. 2025 GET IT
- Design and validation of the first-in-class PROTACs for targeted degradation of the immune checkpoint LAG-3. Bioorganic & medicinal chemistry letters. 2025 Academic Article GET IT
- c-KIT Small Molecule Inhibitors as a Therapeutic Strategy for Melanoma: Clinical Insights, SAR, and Future Directions. Archiv der Pharmazie. 2025 Review GET IT
- Discovery of a first-in-class SLIT2 binder disrupting the SLIT2/ROBO1 axis via DNA-encoded library (DEL) screening. RSC medicinal chemistry. 2025 Academic Article GET IT
- Discovery and validation of LAGi-DEL: A nanomolar LAG-3 inhibitor that reverses immune suppression in tumor-immune co-culture models. European journal of medicinal chemistry. 2025 Academic Article GET IT
- LMT2368 (1-(4-Chlorophenyl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea) Negatively Regulates Inflammation by Inhibiting NLRP3 Inflammasome Activation. Pharmaceutics. 2025 Academic Article GET IT
- As48, a First-in-Class Dual-Function TREM2 Modulator: Receptor Activation and Shedding Inhibition. 2025 GET IT
- Phenotypic and targeted drug discovery in immune therapeutics: challenges, opportunities, and future directions. RSC advances. 2025 Review GET IT
- Discovery and Optimization of LAG-3-Targeted Small Molecules via DNA-Encoded Chemical Library (DEL) Screening for Cancer Immunotherapy. Journal of medicinal chemistry. 2025 Academic Article GET IT
- Targeting the CAPON-NOS Axis: A Computational Strategy for Small Molecule Modulator Discovery. 2025 GET IT
- Discovery of CD28-Targeted Small Molecule Inhibitors of T Cell Co-stimulation Using Affinity Selection-Mass Spectrometry (AS-MS) and Ex Vivo Validation. 2025 GET IT
- Discovery of a Small Molecule TREM2 Agonist with Improved In Vitro Pharmacokinetic Profile and Validated Target Engagement. ACS medicinal chemistry letters. 2025 Academic Article GET IT
- HTS-Oracle: A Retrainable AI Platform for High-Confidence Hit Identification Across Difficult-to-Drug Targets. 2025 GET IT
- CHI3L1-targeted small molecules as glioblastoma therapies: Virtual screening-based discovery, biophysical validation, pharmacokinetic profiling, and evaluation in glioblastoma spheroids. European journal of medicinal chemistry. 2025 Academic Article GET IT
- Lead optimization of a CHI3L1 inhibitor for Glioblastoma: Enhanced target engagement, pharmacokinetics, and efficacy in 3D spheroid models. European journal of medicinal chemistry. 2025 Academic Article GET IT
- Discovery of an Achiral Small Molecule TREM2 Agonist with Improved Pharmacokinetic Profile and Validated Target Engagement. 2025 GET IT
- Discovery of a First-in-Class SLIT2 Binder Disrupting the SLIT2/ROBO1 Axis via DNA-Encoded Library (DEL) Screening. 2025 GET IT
- Surface Plasmon Resonance (SPR)-Based Workflow for High-Throughput Discovery of CD28-Targeted Small Molecules. 2025 GET IT
- TREM2 Activation by First-in-Class Direct Small Molecule Agonists: DEL Screening, Optimization, Biophysical Validation, and Functional Characterization. 2025 GET IT
- CHI3L1-Targeted Small Molecules as Glioblastoma Therapies: Virtual Screening-Based Discovery, Biophysical Validation, Pharmacokinetic Profiling, and Evaluation in Glioblastoma Spheroids. 2025 GET IT
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First-in-class dual inhibitors of MASTL and Aurora A kinase: Discovery of selective cyclohexa[b]thiophenes with potent anticancer activity.
European journal of medicinal chemistry.
2025
Academic Article
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Times cited: 2 -
Virtual screening: hope, hype, and the fine line in between.
Expert opinion on drug discovery.
2025
Review
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Times cited: 7 -
Small Molecules in Parkinson's Disease Therapy: From Dopamine Pathways to New Emerging Targets.
Pharmaceuticals (Basel, Switzerland).
2024
Review
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Times cited: 8 -
New insights into protein-protein interaction modulators in drug discovery and therapeutic advance.
Signal transduction and targeted therapy.
2024
Review
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Times cited: 69 -
Chemical induction of the interaction between AIMP2-DX2 and Siah1 to enhance ubiquitination.
Cell chemical biology.
2024
Academic Article
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Times cited: 1 -
Chalcone-based benzenesulfonamides as potent and selective inhibitors for human carbonic anhydrase II: Design, synthesis, in vitro, and in silico studies.
Archiv der Pharmazie.
2024
Academic Article
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Times cited: 1 -
From pixels to druggable leads: A CADD strategy for the design and synthesis of potent DDR1 inhibitors.
Computer methods and programs in biomedicine.
2024
Academic Article
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Times cited: 7 -
A novel indole derivative, 2-{3-[1-(benzylsulfonyl)piperidin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethenone, suppresses hedgehog signaling and drug-resistant tumor growth.
Archiv der Pharmazie.
2024
Academic Article
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Times cited: 2 -
PT-Finder: A multi-modal neural network approach to target identification.
Computers in biology and medicine.
2024
Academic Article
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Times cited: 3 -
Natural products as IL-6 inhibitors for inflammatory diseases: Synthetic and SAR perspective.
Medicinal research reviews.
2024
Review
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Times cited: 15 -
Machine Learning-Based Approach to Developing Potent EGFR Inhibitors for Breast Cancer-Design, Synthesis, and In Vitro Evaluation.
ACS omega.
2023
Academic Article
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Times cited: 14 -
Cantharidin-Based Verbenone Derivatives as a Novel Insecticide against Plutella xylostella: Design, Synthesis, Insecticidal Activity Evaluation, and 3D QSAR Study.
Biomolecules.
2023
Academic Article
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Times cited: 4 -
Integration of Hybridization Strategies in Pyridine-Urea Scaffolds for Novel Anticancer Agents: Design, Synthesis, and Mechanistic Insights.
Molecules (Basel, Switzerland).
2023
Academic Article
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Times cited: 6 -
Identification of Potent hDHODH Inhibitors for Lung Cancer via Virtual Screening of a Rationally Designed Small Combinatorial Library.
ACS omega.
2023
Academic Article
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Times cited: 6 -
Small Molecule c-KIT Inhibitors for the Treatment of Gastrointestinal Stromal Tumors: A Review on Synthesis, Design Strategies, and Structure-Activity Relationship (SAR).
International journal of molecular sciences.
2023
Review
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Times cited: 8 -
Design, Synthesis and Biological Evaluation of Novel MDH Inhibitors Targeting Tumor Microenvironment.
Pharmaceuticals (Basel, Switzerland).
2023
Academic Article
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Times cited: 8 -
Perspective for Discovery of Small Molecule IL-6 Inhibitors through Study of Structure-Activity Relationships and Molecular Docking.
Journal of medicinal chemistry.
2023
Review
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Times cited: 32 -
Discovery and optimization of natural-based nanomolar c-Kit inhibitors via in silico and in vitro studies.
Journal of biomolecular structure & dynamics.
2023
Academic Article
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Times cited: 9 -
4-Anilinoquinazoline-based benzenesulfonamides as nanomolar inhibitors of carbonic anhydrase isoforms I, II, IX, and XII: design, synthesis, in-vitro, and in-silico biological studies.
Journal of enzyme inhibition and medicinal chemistry.
2022
Academic Article
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Times cited: 17 -
Identification of 1H-purine-2,6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations.
PeerJ.
2022
Academic Article
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Times cited: 31 -
Novel cudraisoflavone J derivatives as potent neuroprotective agents for the treatment of Parkinson's disease via the activation of Nrf2/HO-1 signaling.
European journal of medicinal chemistry.
2022
Academic Article
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Times cited: 6 -
Identification of Novel and Potent Indole-Based Benzenesulfonamides as Selective Human Carbonic Anhydrase II Inhibitors: Design, Synthesis, In Vitro, and In Silico Studies.
International journal of molecular sciences.
2022
Academic Article
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Times cited: 16 -
Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches.
Computers in biology and medicine.
2022
Academic Article
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Times cited: 63 -
Hit Identification of a Novel Quinazoline Sulfonamide as a Promising EphB3 Inhibitor: Design, Virtual Combinatorial Library, Synthesis, Biological Evaluation, and Docking Simulation Studies.
Pharmaceuticals (Basel, Switzerland).
2021
Academic Article
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Times cited: 10 -
Melatonin Analogues Potently Inhibit MAO-B and Protect PC12 Cells against Oxidative Stress.
Antioxidants (Basel, Switzerland).
2021
Academic Article
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Times cited: 28 -
Development of New Meridianin/Leucettine-Derived Hybrid Small Molecules as Nanomolar Multi-Kinase Inhibitors with Antitumor Activity.
Biomedicines.
2021
Academic Article
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Times cited: 11 -
The Journey of DDR1 and DDR2 Kinase Inhibitors as Rising Stars in the Fight Against Cancer.
International journal of molecular sciences.
2021
Review
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Times cited: 72 -
Structure Activity Relationship of Key Heterocyclic Anti-Angiogenic Leads of Promising Potential in the Fight against Cancer.
Molecules (Basel, Switzerland).
2021
Review
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Times cited: 18 -
Inhibition studies on a panel of human carbonic anhydrases with N1-substituted secondary sulfonamides incorporating thiazolinone or imidazolone-indole tails.
Journal of enzyme inhibition and medicinal chemistry.
2018
Academic Article
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Times cited: 46