Lista de obras -

ASDB: a resource for probing protein functions with small molecules.

artículo científico

An in silico protocol for identifying mTOR inhibitors from natural products.

artículo científico publicado en 2014

Anti-inflammatory neolignans from the roots of Magnolia officinalis.

artículo científico publicado en 2016

Anti-influenza agents from Traditional Chinese Medicine.

artículo científico publicado en 2010

Carolignans from the Aerial Parts of Euphorbia sikkimensis and Their Anti-HIV Activity

artículo científico publicado en 2016

Cembrane-type diterpenoids from Macaranga pustulata

artículo científico publicado en 2018

ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability

artículo científico publicado en 2014

Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources.

artículo científico publicado en 2015

Chemical constituents from Daphne tangutica and their cytotoxicity against nasopharyngeal carcinoma cells

scientific article published on 24 August 2018

Cosmetic applications of glucitol-core containing gallotannins from a proprietary phenolic-enriched red maple (Acer rubrum) leaves extract: inhibition of melanogenesis via down-regulation of tyrosinase and melanogenic gene expression in B16F10 melan

artículo científico publicado en 2017

Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus

artículo científico publicado en 2019

Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris

artículo científico publicado en 2016

Cumambrin A prevents OVX-induced osteoporosis via the inhibition of osteoclastogenesis, bone resorption, and RANKL signaling pathways

artículo científico publicado en 2019

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network

artículo científico publicado en 2019

Design, syntheses and lipid accumulation inhibitory activities of novel resveratrol mimics.

artículo científico publicado en 2017

Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease

artículo científico publicado en 2018

Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.

artículo científico publicado en 2018

Discovering new agents active against methicillin-resistant Staphylococcus aureus with ligand-based approaches

artículo científico publicado en 2014

Discovering new mTOR inhibitors for cancer treatment through virtual screening methods and in vitro assays

artículo científico publicado en 2016

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations ⬇️

artículo científico publicado el 26 de agosto de 2013

Discovery of a New Pterocarpan-Type Antineuroinflammatory Compound from Sophora tonkinensis through Suppression of the TLR4/NFκB/MAPK Signaling Pathway with PU.1 as a Potential Target

artículo científico publicado en 2018

Discovery of diverse diterpenoid scaffolds from Euphorbia antiquorum and their activity against RANKL-induced osteoclastogenesis

scientific article published on 18 September 2019

Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening

scientific article published on 01 March 2018

Discovery of new inhibitors against both NF-κB and osteoclastogenesis from in-house library with α, β-unsaturated-enone fragment

artículo científico publicado en 2019

Discovery of novel rivastigmine-hydroxycinnamic acid hybrids as multi-targeted agents for Alzheimer's disease

artículo científico publicado en 2016

Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping

scientific article published on 04 December 2019

Discovery of tissue selective liver X receptor agonists for the treatment of atherosclerosis without causing hepatic lipogenesis

scientific article published on 30 August 2019

Diterpenoids from the aerial parts of Flueggea acicularis and their activity against RANKL-induced osteoclastogenesis

scientific article published on 23 November 2019

Diterpenoids with diverse scaffolds from Vitex trifolia as potential topoisomerase I inhibitor.

artículo científico publicado en 2017

Ethylnaphthoquinone derivatives as inhibitors of indoleamine-2, 3-dioxygenase from the mangrove endophytic fungus Neofusicoccum austral SYSU-SKS024.

artículo científico publicado en 2018

Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii

artículo científico publicado en 2016

Fluvirosaones A and B, Two Indolizidine Alkaloids with a Pentacyclic Skeleton from Flueggea virosa.

artículo científico publicado en 2018

GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.

artículo científico publicado en 2012

Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes

scientific article published on 04 July 2018

Identify liver X receptor β modulator building blocks by developing a fluorescence polarization-based competition assay

artículo científico publicado en 2019

Identifying Novel Anti-Osteoporosis Leads with a Chemotype-Assembly Approach

artículo científico publicado en 2019

Incorporation of Privileged Structures into Bevirimat Can Improve Activity against Wild-Type and Bevirimat-Resistant HIV-1.

artículo científico publicado en 2016

Jatrophane Diterpenoids from Euphorbia esula as Inhibitors of RANKL-Induced Osteoclastogenesis

scientific article published on 01 April 2020

LBVS: an online platform for ligand-based virtual screening using publicly accessible databases

artículo científico publicado en 2014

Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum

artículo científico publicado en 2019

Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication

artículo científico publicado en 2015

On the value of homology models for virtual screening: discovering hCXCR3 antagonists by pharmacophore-based and structure-based approaches

artículo científico publicado en 2012

Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme.

artículo científico

PTS: a pharmaceutical target seeker.

artículo científico publicado en 2017

Palladium-catalyzed C-H bond carboxylation of acetanilides: an efficient usage of N,N-dimethyloxamic acid as the carboxylate source

artículo científico publicado en 2016

Potential antiviral lignans from the roots of Saururus chinensis with activity against Epstein-Barr virus lytic replication.

artículo científico publicado en 2013

Predicting DPP-IV inhibitors with machine learning approaches.

artículo científico publicado en 2017

Predicting dual-targeting anti-influenza agents using multi-models.

artículo científico publicado en 2014

Predicting mTOR inhibitors with a classifier using recursive partitioning and Naïve Bayesian approaches

artículo científico publicado en 2014

Predicting selective liver X receptor β agonists using multiple machine learning methods.

artículo científico publicado en 2015

Pterosin Sesquiterpenoids from Pteris cretica as Hypolipidemic Agents via Activating Liver X Receptors.

artículo científico publicado en 2016

QBMG: quasi-biogenic molecule generator with deep recurrent neural network

scientific article published on 17 January 2019

SC-514, a selective inhibitor of IKKβ attenuates RANKL-induced osteoclastogenesis and NF-κB activation.

artículo científico publicado en 2013

Salvianolic acid A, a polyphenolic derivative from Salvia miltiorrhiza bunge, as a multifunctional agent for the treatment of Alzheimer’s disease ⬇️

artículo científico publicado el 24 de mayo de 2013

Sciadopitysin: active component from Taxus chinensis for anti-Alzheimer's disease.

artículo científico publicado en 2013

Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication.

artículo científico publicado en 2017

Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica

artículo científico publicado en 2020

Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis

artículo científico publicado en 2019

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies

artículo científico publicado en 2019

Structure Activity Related, Mechanistic, and Modeling Studies of Gallotannins containing a Glucitol-Core and α-Glucosidase

artículo científico publicado en 2015

Synthesis and anti-neuroinflammatory activity of lactone benzoyl hydrazine and 2-nitro-1-phenyl-1h-indole derivatives as p38α MAPK inhibitors

artículo científico publicado en 2015

Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease

artículo científico publicado en 2019

Synthesis of quinolin-2-one alkaloid derivatives and their inhibitory activities against HIV-1 reverse transcriptase.

artículo científico publicado en 2011

Synthesis, antitumor activity, and mechanism of action of 6-acrylic phenethyl ester-2-pyranone derivatives.

artículo científico publicado en 2015

Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool

scientific article published on 10 June 2019

TCMAnalyzer: a Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine

artículo científico publicado en 2018

Talaromynoids A–I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities

scientific article published in 2021

The inhibitory effects of different curcuminoids on β-amyloid protein, β-amyloid precursor protein and β-site amyloid precursor protein cleaving enzyme 1 in swAPP HEK293 cells ⬇️

artículo científico publicado el 18 de agosto de 2010

The mTOR Inhibitor Manassantin B Reveals A Crucial Role of mTORC2 Signaling in Epstein-Barr Virus Reactivation

artículo científico publicado en 2020

Three-dimensional pharmacophore modeling of liver-X receptor agonists

artículo científico publicado en 2011

Triterpenoids from Euphorbia pulcherrima with inhibitory effects on osteoclastogenesis

scientific article published on 08 March 2019

Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.

artículo científico publicado en 2017

cBinderDB: a covalent binding agent database

artículo científico publicado en 2016

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

artículo científico publicado en 2014

Lista de obras de

ASDB: a resource for probing protein functions with small molecules.

An in silico protocol for identifying mTOR inhibitors from natural products.

Anti-inflammatory neolignans from the roots of Magnolia officinalis.

Anti-influenza agents from Traditional Chinese Medicine.

Carolignans from the Aerial Parts of Euphorbia sikkimensis and Their Anti-HIV Activity

Cembrane-type diterpenoids from Macaranga pustulata

ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability

Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources.

Chemical constituents from Daphne tangutica and their cytotoxicity against nasopharyngeal carcinoma cells

Cosmetic applications of glucitol-core containing gallotannins from a proprietary phenolic-enriched red maple (Acer rubrum) leaves extract: inhibition of melanogenesis via down-regulation of tyrosinase and melanogenic gene expression in B16F10 melan

Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus

Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris

Cumambrin A prevents OVX-induced osteoporosis via the inhibition of osteoclastogenesis, bone resorption, and RANKL signaling pathways

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network

Design, syntheses and lipid accumulation inhibitory activities of novel resveratrol mimics.

Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease

Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.

Discovering new agents active against methicillin-resistant Staphylococcus aureus with ligand-based approaches

Discovering new mTOR inhibitors for cancer treatment through virtual screening methods and in vitro assays

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations ⬇️

Discovery of a New Pterocarpan-Type Antineuroinflammatory Compound from Sophora tonkinensis through Suppression of the TLR4/NFκB/MAPK Signaling Pathway with PU.1 as a Potential Target

Discovery of diverse diterpenoid scaffolds from Euphorbia antiquorum and their activity against RANKL-induced osteoclastogenesis

Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screening

Discovery of new inhibitors against both NF-κB and osteoclastogenesis from in-house library with α, β-unsaturated-enone fragment

Discovery of novel rivastigmine-hydroxycinnamic acid hybrids as multi-targeted agents for Alzheimer's disease

Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping

Discovery of tissue selective liver X receptor agonists for the treatment of atherosclerosis without causing hepatic lipogenesis

Diterpenoids from the aerial parts of Flueggea acicularis and their activity against RANKL-induced osteoclastogenesis

Diterpenoids with diverse scaffolds from Vitex trifolia as potential topoisomerase I inhibitor.

Ethylnaphthoquinone derivatives as inhibitors of indoleamine-2, 3-dioxygenase from the mangrove endophytic fungus Neofusicoccum austral SYSU-SKS024.

Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii

Fluvirosaones A and B, Two Indolizidine Alkaloids with a Pentacyclic Skeleton from Flueggea virosa.

GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.

Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes

Identify liver X receptor β modulator building blocks by developing a fluorescence polarization-based competition assay

Identifying Novel Anti-Osteoporosis Leads with a Chemotype-Assembly Approach

Incorporation of Privileged Structures into Bevirimat Can Improve Activity against Wild-Type and Bevirimat-Resistant HIV-1.

Jatrophane Diterpenoids from Euphorbia esula as Inhibitors of RANKL-Induced Osteoclastogenesis

LBVS: an online platform for ligand-based virtual screening using publicly accessible databases

Monomeric and Dimeric Cytotoxic Guaianolide-Type Sesquiterpenoids from the Aerial Parts of Chrysanthemum indicum

Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication

On the value of homology models for virtual screening: discovering hCXCR3 antagonists by pharmacophore-based and structure-based approaches

Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme.

PTS: a pharmaceutical target seeker.

Palladium-catalyzed C-H bond carboxylation of acetanilides: an efficient usage of N,N-dimethyloxamic acid as the carboxylate source

Potential antiviral lignans from the roots of Saururus chinensis with activity against Epstein-Barr virus lytic replication.

Predicting DPP-IV inhibitors with machine learning approaches.

Predicting dual-targeting anti-influenza agents using multi-models.

Predicting mTOR inhibitors with a classifier using recursive partitioning and Naïve Bayesian approaches

Predicting selective liver X receptor β agonists using multiple machine learning methods.

Pterosin Sesquiterpenoids from Pteris cretica as Hypolipidemic Agents via Activating Liver X Receptors.

QBMG: quasi-biogenic molecule generator with deep recurrent neural network

SC-514, a selective inhibitor of IKKβ attenuates RANKL-induced osteoclastogenesis and NF-κB activation.

Salvianolic acid A, a polyphenolic derivative from Salvia miltiorrhiza bunge, as a multifunctional agent for the treatment of Alzheimer’s disease ⬇️

Sciadopitysin: active component from Taxus chinensis for anti-Alzheimer's disease.

Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication.

Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica

Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies

Structure Activity Related, Mechanistic, and Modeling Studies of Gallotannins containing a Glucitol-Core and α-Glucosidase

Synthesis and anti-neuroinflammatory activity of lactone benzoyl hydrazine and 2-nitro-1-phenyl-1h-indole derivatives as p38α MAPK inhibitors

Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease

Synthesis of quinolin-2-one alkaloid derivatives and their inhibitory activities against HIV-1 reverse transcriptase.

Synthesis, antitumor activity, and mechanism of action of 6-acrylic phenethyl ester-2-pyranone derivatives.

Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool

TCMAnalyzer: a Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine

Talaromynoids A–I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities

The inhibitory effects of different curcuminoids on β-amyloid protein, β-amyloid precursor protein and β-site amyloid precursor protein cleaving enzyme 1 in swAPP HEK293 cells ⬇️

The mTOR Inhibitor Manassantin B Reveals A Crucial Role of mTORC2 Signaling in Epstein-Barr Virus Reactivation

Three-dimensional pharmacophore modeling of liver-X receptor agonists

Triterpenoids from Euphorbia pulcherrima with inhibitory effects on osteoclastogenesis

Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.

cBinderDB: a covalent binding agent database

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.