Fengling Li
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View article: AI microscope facilitates accurate interpretation of HER2 immunohistochemical scores 0 and 1+ in invasive breast cancer
AI microscope facilitates accurate interpretation of HER2 immunohistochemical scores 0 and 1+ in invasive breast cancer Open
View article: A Case of Novel Meningoencephalomyelitis Associated With Vimentin IgG Autoantibodies
A Case of Novel Meningoencephalomyelitis Associated With Vimentin IgG Autoantibodies Open
Vimentin IgG-related encephalomyelitis is a potentially novel meningoencephalomyelitis syndrome associated with autoantibodies against Vimentin. It was first studied and named by Professor Hao Junwei et al. in 2025. There are currently no …
View article: ATPase activity profiling of three human DExD/H-box RNA helicases
ATPase activity profiling of three human DExD/H-box RNA helicases Open
Human DExD/H-box RNA helicases are ubiquitous molecular motors that unwind and rearrange RNA secondary structures in an ATP-dependent manner. These enzymes play essential roles in nearly all aspects of RNA metabolism. While their biologica…
View article: Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells
Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells Open
View article: Kinetic characterization of three human DExD/H-box RNA helicases
Kinetic characterization of three human DExD/H-box RNA helicases Open
Human DExD/H-box RNA helicases are ubiquitous molecular motors that unwind and rearrange RNA secondary structures in an ATP-dependent manner. These enzymes play essential roles in nearly all aspects of RNA metabolism. While their biologica…
View article: Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS)
Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS) Open
We report an enantioselective protein affinity selection mass spectrometry screening approach (E-ASMS) that enables the detection of weak binders, informs on selectivity, and generates orthogonal confirmation of binding. After method devel…
View article: Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1
Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1 Open
FRASE-bot, a virtual screening platform, won CACHE Challenge #1, which aimed to identify ligands to WDR LRRK2, a Parkinson's disease target. The hit compounds exibit low micromolar affinity for the target and modulate LRRK2 function in cel…
View article: <b>Experts' </b><b>C</b><b>ognition-Driven Ensemble Deep Learning </b><b>f</b><b>or External Validation of Predicting Pathological Complete Response to Neoadjuvant Chemotherapy </b><b>f</b><b>rom Histological Images in Breast Cancer</b>
<b>Experts' </b><b>C</b><b>ognition-Driven Ensemble Deep Learning </b><b>f</b><b>or External Validation of Predicting Pathological Complete Response to Neoadjuvant Chemotherapy </b><b>f</b><b>rom Histological Images in Breast Cancer</b> Open
In breast cancer, neoadjuvant chemotherapy (NAC) provides a standard treatment option for patients who have locally advanced cancer and some large operable tumors. A patient will have better prognosis when he has achieved a pathological co…
View article: Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2
Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2 Open
We herewith applied a priori a generic hit identification method (POEM) for difficult targets of known three-dimensional structure, relying on the simple knowledge of physicochemical and topological properties of a user-selected cav…
View article: Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor
Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor Open
The methyl-lysine reader protein SPIN1 plays important roles in various human diseases. However, targeting methyl-lysine reader proteins has been challenging. Very few cellularly active SPIN1 inhibitors have been developed. We previously r…
View article: A resource to enable chemical biology and drug discovery of WDR Proteins
A resource to enable chemical biology and drug discovery of WDR Proteins Open
Protein class-focused drug discovery has a long and successful history in pharmaceutical research, yet most members of druggable protein families remain unliganded, often for practical reasons. Here we combined experiment and computation t…
View article: Kinetic characterization of human mRNA guanine-N7 methyltransferase
Kinetic characterization of human mRNA guanine-N7 methyltransferase Open
View article: Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Open
Workflow used for identifying inhibitors of the SARS-CoV-2 non-structural protein 14 (nsp14), a key player in viral RNA methylation.
View article: Insights into the Combined Toxicity and Mechanisms of 2,2',4,4'-Tetrabromodiphenyl Ether and Perfluorooctanoic Acid in Marine Mussel (Mytilus Galloprovincialis. L): An Integrated Study at the Physiochemical and Molecular Levels
Insights into the Combined Toxicity and Mechanisms of 2,2',4,4'-Tetrabromodiphenyl Ether and Perfluorooctanoic Acid in Marine Mussel (Mytilus Galloprovincialis. L): An Integrated Study at the Physiochemical and Molecular Levels Open
View article: The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition
The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition Open
Cbl-b is a RING-type E3 ubiquitin ligase that is expressed in several immune cell lineages, where it negatively regulates the activity of immune cells. Cbl-b has specifically been identified as an attractive target for cancer immunotherapy…
View article: Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration
Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration Open
The transcription factor YAP-TEAD is the downstream effector of the Hippo pathway which controls cell proliferation, apoptosis, tissue repair, and organ growth. Dysregulation of the Hippo pathway has been correlated with carcinogenic proce…
View article: Improved green and red GRAB sensors for monitoring dopaminergic activity in vivo
Improved green and red GRAB sensors for monitoring dopaminergic activity in vivo Open
View article: Recruitment of FBXO22 for Targeted Degradation of NSD2
Recruitment of FBXO22 for Targeted Degradation of NSD2 Open
Targeted protein degradation (TPD) is an emerging therapeutic strategy that would benefit from new chemical entities with which to recruit a wider variety of ubiquitin E3 ligases to target proteins for proteasomal degradation. Here, we des…
View article: Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors Open
The COVID-19 pandemic, caused by the SARS-CoV-2 virus, has led to significant global morbidity and mortality. A crucial viral protein, the non-structural protein 14 (nsp14), catalyzes the methylation of viral RNA and plays a critical role …
View article: CCDC 2224809: Experimental Crystal Structure Determination
CCDC 2224809: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2224810: Experimental Crystal Structure Determination
CCDC 2224810: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A germ-free humanized mouse model shows the contribution of resident microbiota to human-specific pathogen infection
A germ-free humanized mouse model shows the contribution of resident microbiota to human-specific pathogen infection Open
View article: Development of selective class I protein arginine methyltransferase inhibitors through fragment-based drug design approach
Development of selective class I protein arginine methyltransferase inhibitors through fragment-based drug design approach Open
View article: A germ-free humanized mouse model shows the contribution of resident microbiota to human-specific pathogen infection
A germ-free humanized mouse model shows the contribution of resident microbiota to human-specific pathogen infection Open
Germ-free (GF) mice, which are depleted of their resident microbiota, are the gold standard for exploring the role of the microbiome in health and disease; however, they are of limited value in the study of human-specific pathogens because…
View article: SETDB1 Triple Tudor Domain Ligand, ( <i>R</i> , <i>R</i> )-59, Promotes Methylation of Akt1 in Cells
SETDB1 Triple Tudor Domain Ligand, ( <i>R</i> , <i>R</i> )-59, Promotes Methylation of Akt1 in Cells Open
Increased expression and hyperactivation of the methyltransferase SET domain bifurcated 1 (SETDB1) are commonly observed in cancer and central nervous system disorders. However, there are currently no reported SETDB1-specific methyltransfe…
View article: Discovery of a Novel DCAF1 Ligand Using a Drug–Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets
Discovery of a Novel DCAF1 Ligand Using a Drug–Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets Open
DCAF1 functions as a substrate recruitment subunit for the RING-type CRL4DCAF1 and the HECT family EDVPDCAF1 E3 ubiquitin ligases. The WDR domain of DCAF1 serves as a binding platform for substrate proteins and is als…
View article: Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase
Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase Open
An under-explored target for SARS-CoV-2 is the S-adenosyl methionine (SAM)-dependent methyltransferase Nsp14, which methylates the N7-guanosine of viral RNA at the 5'-end, allowing the virus to evade host immune response. We sought …
View article: SETDB1 Triple Tudor Domain Ligand, (<i>R,R</i>)-59, Promotes Methylation of Akt1 in Cells
SETDB1 Triple Tudor Domain Ligand, (<i>R,R</i>)-59, Promotes Methylation of Akt1 in Cells Open
Increased expression and hyperactivation of the methyltransferase SETDB1 are commonly observed in cancer and central nervous system disorders. However, there are currently no reported SETDB1-specific methyltransferase inhibitors in the lit…
View article: Probing the mechanism of Cbl-b inhibition by a small-molecule inhibitor
Probing the mechanism of Cbl-b inhibition by a small-molecule inhibitor Open
Cbl-b is a RING-type E3 ubiquitin ligase that is expressed in several immune cell lineages, where it negatively regulates the activity of immune cells. Cbl-b has specifically been identified as an attractive target for cancer immunotherapy…
View article: Discovery of a Potent and Selective Targeted NSD2 Degrader for the Reduction of H3K36me2
Discovery of a Potent and Selective Targeted NSD2 Degrader for the Reduction of H3K36me2 Open
Nuclear receptor-binding SET domain-containing 2 (NSD2) plays important roles in gene regulation, largely through its ability to dimethylate lysine 36 of histone 3 (H3K36me2). Despite aberrant activity of NSD2 reported in numerous cancers,…