1.
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Electronic transport induced by asymmetric adsorption site of sulfur in molecular device
Surface Science, ISSN 0039-6028, 06/2019, Volume 684, pp. 52 - 57
The effect of different sulfur adsorption site on right Au electrodes in molecular device is investigated by using non-equilibrium Green’s function and density...
Switching behavior | Molecular device | Electronic transport | Density functionals | Sulfur compounds | Adsorption | Sulfur | Isomerization | Electrodes | Asymmetry | Molecular orbitals | Density functional theory | Eigenvectors | Electrode polarization | Electron transport | Switching
Switching behavior | Molecular device | Electronic transport | Density functionals | Sulfur compounds | Adsorption | Sulfur | Isomerization | Electrodes | Asymmetry | Molecular orbitals | Density functional theory | Eigenvectors | Electrode polarization | Electron transport | Switching
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2.
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Width dependent rectifying behavior in Schottky heterojunction based on black phosphorene
Materials Chemistry and Physics, ISSN 0254-0584, 01/2020, Volume 239, p. 122048
Journal Article
Biochemical Pharmacology, ISSN 0006-2952, 10/2019, Volume 168, pp. 214 - 223
Targeting Trp-Kyn pathways has been identified as an attractive approach for the cancer immunotherapies. In this study, a novel phosphonamidate containing...
Epacadostat | NSCLC | IDO1 inhibitors | Phosphonamidate | Trp-Kyn | Enzymes | Chemotherapy | Hydrogen | Analysis | Pharmacy | Immunotherapy | Tryptophan | Biological response modifiers | T cells | Interferon gamma | Cancer
Epacadostat | NSCLC | IDO1 inhibitors | Phosphonamidate | Trp-Kyn | Enzymes | Chemotherapy | Hydrogen | Analysis | Pharmacy | Immunotherapy | Tryptophan | Biological response modifiers | T cells | Interferon gamma | Cancer
Journal Article
Drug Discovery Today, ISSN 1359-6446, 11/2019
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 11/2019, Volume 182, p. 111629
Targeting indoleamine 2,3-dioxygenase 1 (IDO1) has been identified as an attractive approach for the development of cancer immunotherapy. In this study, a...
Epacadostat | Phosphonamidate ester | IDO2 | IDO1 inhibitors | TDO
Epacadostat | Phosphonamidate ester | IDO2 | IDO1 inhibitors | TDO
Journal Article
Current Cancer Drug Targets, ISSN 1568-0096, 02/2017, Volume 17, Issue 2, pp. 122 - 136
Journal Article
Scientific Reports, ISSN 2045-2322, 10/2016, Volume 6, Issue 1, p. 35771
DDO-6101, a simplified structure obtained from the Garcinia natural product (NP) gambogic acid (GA), has been previously shown to possess high cytotoxicity to...
CELLS | ZEBRAFISH | PROTEIN | GARCINIA XANTHONES | GAMBOGIC ACID | SIGNALING PATHWAY | INHIBITS ANGIOGENESIS | MULTIDISCIPLINARY SCIENCES | ACID INDUCES APOPTOSIS | BIOLOGICAL EVALUATION | CHEMIE DES GUMMIGUTTS | Apoptosis - drug effects | Humans | Hypoxia-Inducible Factor 1, alpha Subunit - antagonists & inhibitors | Biological Products - pharmacology | Structure-Activity Relationship | Xanthones - pharmacology | Garcinia - chemistry | Drug Design | Female | Antineoplastic Agents - pharmacology | Xanthones - chemistry | Animals, Genetically Modified | HCT116 Cells | Angiogenesis Inhibitors - pharmacology | Antineoplastic Agents, Phytogenic - chemistry | Zebrafish | Antineoplastic Agents - chemistry | Hep G2 Cells | Xenograft Model Antitumor Assays | Biological Products - chemistry | Animals | HSP90 Heat-Shock Proteins - antagonists & inhibitors | Mice, Nude | Cell Line, Tumor | Mice | Antineoplastic Agents, Phytogenic - pharmacology | Angiogenesis Inhibitors - chemistry | Drug Screening Assays, Antitumor | Angiogenesis | Hsp90 protein | Hypoxia-inducible factor 1a | Natural products | Heat shock proteins | Cytotoxicity | Antitumor activity | Permeability | Tumor cell lines | Physicochemical properties | Adenosine triphosphatase | Tumors
CELLS | ZEBRAFISH | PROTEIN | GARCINIA XANTHONES | GAMBOGIC ACID | SIGNALING PATHWAY | INHIBITS ANGIOGENESIS | MULTIDISCIPLINARY SCIENCES | ACID INDUCES APOPTOSIS | BIOLOGICAL EVALUATION | CHEMIE DES GUMMIGUTTS | Apoptosis - drug effects | Humans | Hypoxia-Inducible Factor 1, alpha Subunit - antagonists & inhibitors | Biological Products - pharmacology | Structure-Activity Relationship | Xanthones - pharmacology | Garcinia - chemistry | Drug Design | Female | Antineoplastic Agents - pharmacology | Xanthones - chemistry | Animals, Genetically Modified | HCT116 Cells | Angiogenesis Inhibitors - pharmacology | Antineoplastic Agents, Phytogenic - chemistry | Zebrafish | Antineoplastic Agents - chemistry | Hep G2 Cells | Xenograft Model Antitumor Assays | Biological Products - chemistry | Animals | HSP90 Heat-Shock Proteins - antagonists & inhibitors | Mice, Nude | Cell Line, Tumor | Mice | Antineoplastic Agents, Phytogenic - pharmacology | Angiogenesis Inhibitors - chemistry | Drug Screening Assays, Antitumor | Angiogenesis | Hsp90 protein | Hypoxia-inducible factor 1a | Natural products | Heat shock proteins | Cytotoxicity | Antitumor activity | Permeability | Tumor cell lines | Physicochemical properties | Adenosine triphosphatase | Tumors
Journal Article
Advances in Difference Equations, ISSN 1687-1839, 12/2019, Volume 2019, Issue 1, pp. 1 - 16
In this paper, two stochastic SIRS epidemic models with standard incidence were proposed and investigated. For the non-autonomous periodic model, the...
Standard incidence | Stochastic SIRS epidemic model | Stationary distribution and ergodicity | Periodic solution | Extinction | ERGODICITY | POPULATION | MATHEMATICS, APPLIED | PERSISTENCE | BEHAVIOR | STATIONARY DISTRIBUTION | DIFFERENTIAL-EQUATIONS | GLOBAL ANALYSIS | MATHEMATICS | NUMERICAL SIMULATIONS | PHYTOPLANKTON | White noise | Liapunov functions | Epidemics | Dynamic tests | Incidence
Standard incidence | Stochastic SIRS epidemic model | Stationary distribution and ergodicity | Periodic solution | Extinction | ERGODICITY | POPULATION | MATHEMATICS, APPLIED | PERSISTENCE | BEHAVIOR | STATIONARY DISTRIBUTION | DIFFERENTIAL-EQUATIONS | GLOBAL ANALYSIS | MATHEMATICS | NUMERICAL SIMULATIONS | PHYTOPLANKTON | White noise | Liapunov functions | Epidemics | Dynamic tests | Incidence
Journal Article
Current Cancer Drug Targets, ISSN 1568-0096, 2018, Volume 18, Issue 7, pp. 652 - 667
Prostate cancer is the most common carcinoma among aged males in western countries and more aggressive and lethal castration resistant prostate cancer often...
Degradation | Small molecules | New strategies | Prostate cancer | Androgen receptor | Resistance mechanism | CHIMERIC MOLECULES | degradation | new strategies | prostate cancer | androgen receptor | ONCOLOGY | PROTEIN-DEGRADATION | GELDANAMYCIN | IN-VIVO | BIOLOGICAL EVALUATION | RESISTANCE | INCREASED SURVIVAL | INHIBITORS | PHASE-I | small molecules | ENZALUTAMIDE | Androgens | Deprivation | Castration | Males | Prostate | Cancer
Degradation | Small molecules | New strategies | Prostate cancer | Androgen receptor | Resistance mechanism | CHIMERIC MOLECULES | degradation | new strategies | prostate cancer | androgen receptor | ONCOLOGY | PROTEIN-DEGRADATION | GELDANAMYCIN | IN-VIVO | BIOLOGICAL EVALUATION | RESISTANCE | INCREASED SURVIVAL | INHIBITORS | PHASE-I | small molecules | ENZALUTAMIDE | Androgens | Deprivation | Castration | Males | Prostate | Cancer
Journal Article
Journal of Enzyme Inhibition and Medicinal Chemistry, ISSN 1475-6366, 01/2019, Volume 34, Issue 1, pp. 250 - 263
With the aim of discovering novel IDO1 inhibitors, a combined similarity search and molecular docking approach was employed to the discovery of 32 hit...
virtual screen | cyanopyridine scaffold | inhibitor | Indoleamine 2,3-dioxygenase 1 | hit optimisation | DESIGN | CHEMISTRY, MEDICINAL | DENDRITIC CELLS | BIOCHEMISTRY & MOLECULAR BIOLOGY | INDOLEAMINE 2,3-DIOXYGENASE | CRYSTAL-STRUCTURES | POTENT INHIBITORS | MOLECULAR DOCKING | DETAILED ANALYSIS | TRYPTOPHAN DEGRADATION | DERIVATIVES | EXPRESSION
virtual screen | cyanopyridine scaffold | inhibitor | Indoleamine 2,3-dioxygenase 1 | hit optimisation | DESIGN | CHEMISTRY, MEDICINAL | DENDRITIC CELLS | BIOCHEMISTRY & MOLECULAR BIOLOGY | INDOLEAMINE 2,3-DIOXYGENASE | CRYSTAL-STRUCTURES | POTENT INHIBITORS | MOLECULAR DOCKING | DETAILED ANALYSIS | TRYPTOPHAN DEGRADATION | DERIVATIVES | EXPRESSION
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 02/2017, Volume 127, p. 828
NQO1 is a dimeric flavoprotein which intimately associated with cancer and overexpressed in the cytosol of numerous human tumor cells. Given that the cellular...
Quinone | Investigations | Albumin | Lung cancer, Non-small cell | High performance liquid chromatography | Fluorescein
Quinone | Investigations | Albumin | Lung cancer, Non-small cell | High performance liquid chromatography | Fluorescein
Journal Article
Organic Letters, ISSN 1523-7060, 07/2015, Volume 17, Issue 14, pp. 3410 - 3413
Journal Article
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Overview of the Development of Glutaminase Inhibitors: Achievements and Future Directions
Journal of Medicinal Chemistry, ISSN 0022-2623, 2018, Volume 62, Issue 3, pp. 1096 - 1115
It has been demonstrated that glutamine metabolism has become the main energy and building blocks supply for the growth and viability of a potentially large...
GLUTAMATE-DEHYDROGENASE | TARGETED INHIBITION | CHEMISTRY, MEDICINAL | ACID | KIDNEY-TYPE GLUTAMINASE | PHOSPHATE-DEPENDENT GLUTAMINASE | 6-DIAZO-5-OXO-L-NORLEUCINE DON | GROWTH | CANCER METABOLISM | GLUTAMINOLYSIS | PHASE-I
GLUTAMATE-DEHYDROGENASE | TARGETED INHIBITION | CHEMISTRY, MEDICINAL | ACID | KIDNEY-TYPE GLUTAMINASE | PHOSPHATE-DEPENDENT GLUTAMINASE | 6-DIAZO-5-OXO-L-NORLEUCINE DON | GROWTH | CANCER METABOLISM | GLUTAMINOLYSIS | PHASE-I
Journal Article
Bioorganic & Medicinal Chemistry, ISSN 0968-0896, 03/2019, Volume 27, Issue 5, pp. 677 - 685
Protein kinases have been important targets for antitumor targets due to their key roles in regulating multiple cell signaling pathways. Numerous compounds...
Binding mode | Flavonoids | Protein kinase | Structure-activity relationship | Cancer | CLINICAL-PHARMACOLOGY | CHEMISTRY, MEDICINAL | BIOCHEMISTRY & MOLECULAR BIOLOGY | CHEMISTRY, ORGANIC | PHASE-II | CK2 | SMALL-MOLECULE INHIBITOR | P-TEFB | STRUCTURAL BASIS | CHRONIC LYMPHOCYTIC-LEUKEMIA | CELL CYCLES | CONTINUOUS-INFUSION | FLAVOPIRIDOL | Antimitotic agents | Flavones | Bioflavonoids | Cellular signal transduction | Antineoplastic agents | Protein kinases | Protein binding
Binding mode | Flavonoids | Protein kinase | Structure-activity relationship | Cancer | CLINICAL-PHARMACOLOGY | CHEMISTRY, MEDICINAL | BIOCHEMISTRY & MOLECULAR BIOLOGY | CHEMISTRY, ORGANIC | PHASE-II | CK2 | SMALL-MOLECULE INHIBITOR | P-TEFB | STRUCTURAL BASIS | CHRONIC LYMPHOCYTIC-LEUKEMIA | CELL CYCLES | CONTINUOUS-INFUSION | FLAVOPIRIDOL | Antimitotic agents | Flavones | Bioflavonoids | Cellular signal transduction | Antineoplastic agents | Protein kinases | Protein binding
Journal Article
Current Cancer Drug Targets, ISSN 1568-0096, 02/2017, Volume 17, Issue 2, pp. 122 - 136
Compared to normal cells, usually cancer cells are under higher oxidative stress. Elevating intracellular levels of reactive oxygen species (ROS) by...
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 01/2018, Volume 143, pp. 656 - 669
There has been great attention on indoleamine-2,3-dioxygenase 1 (IDO1) around cancer immunotherapy because of its role in enabling cancers to evade the immune...
Crystal structures | Cancer immunotherapy | IDO1 inhibitors | Immune escape | PHENYL BENZENESULFONYLHYDRAZIDES | CHEMISTRY, MEDICINAL | INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | DENDRITIC CELLS | CRYSTAL-STRUCTURES | POTENT INHIBITORS | CYTOSTATIC AGENTS | BIOLOGICAL EVALUATION | TRYPTOPHAN 2,3-DIOXYGENASE | DERIVATIVES | IDO1 | Care and treatment | Prostaglandins E | Immunotherapy | Crystals | Tryptophan | Interferon | Drug therapy | Structure | Biological response modifiers | T cells | Cancer
Crystal structures | Cancer immunotherapy | IDO1 inhibitors | Immune escape | PHENYL BENZENESULFONYLHYDRAZIDES | CHEMISTRY, MEDICINAL | INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | DENDRITIC CELLS | CRYSTAL-STRUCTURES | POTENT INHIBITORS | CYTOSTATIC AGENTS | BIOLOGICAL EVALUATION | TRYPTOPHAN 2,3-DIOXYGENASE | DERIVATIVES | IDO1 | Care and treatment | Prostaglandins E | Immunotherapy | Crystals | Tryptophan | Interferon | Drug therapy | Structure | Biological response modifiers | T cells | Cancer
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 02/2019, Volume 163, pp. 215 - 242
Cancer cells have been confirmed diverge significantly from normal cells on the metabolic properties. Energy production in cancer cells is abnormally dependent...
Inhibitor | Synthesis | Cancer metabolism | Glutamine | CANCER-CELLS | NUCLEOTIDE-METABOLISM | L-ASPARAGINASE | CHEMISTRY, MEDICINAL | CYSTINE UPTAKE | KIDNEY-TYPE GLUTAMINASE | SYSTEM XC(-) | DEHYDROGENASE | AMINO-ACIDS | SULFASALAZINE | PHASE-I
Inhibitor | Synthesis | Cancer metabolism | Glutamine | CANCER-CELLS | NUCLEOTIDE-METABOLISM | L-ASPARAGINASE | CHEMISTRY, MEDICINAL | CYSTINE UPTAKE | KIDNEY-TYPE GLUTAMINASE | SYSTEM XC(-) | DEHYDROGENASE | AMINO-ACIDS | SULFASALAZINE | PHASE-I
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 03/2017, Volume 129, pp. 27 - 40
In this work, we mainly focused on discovering compounds with good selectivity for NQO1 over CPR. The NQO1-mediated two-electron reduction of compounds would...
NQO1 substrates | β-Lapachone | Ortho-quinones | ROS | Cancer cells | CANCER-CELLS | OXIDATIVE STRESS | NAD(P)H-QUINONE OXIDOREDUCTASE-1 | CHEMISTRY, MEDICINAL | ANTICANCER AGENT | DRUG DESIGN | REDOX ACTIVATION | IDENTIFICATION | beta-Lapachone | POTENT | NADPH-Ferrihemoprotein Reductase - metabolism | Reactive Oxygen Species - metabolism | Antineoplastic Agents - chemical synthesis | Humans | Benzoquinones - chemistry | Structure-Activity Relationship | Drug Discovery | Patient Safety | NAD(P)H Dehydrogenase (Quinone) - metabolism | Antineoplastic Agents - pharmacology | Molecular Docking Simulation | Cell Death - drug effects | Binding Sites | Antimitotic agents | Safety and security measures | Antineoplastic agents | Quinone | Analysis | Index Medicus
NQO1 substrates | β-Lapachone | Ortho-quinones | ROS | Cancer cells | CANCER-CELLS | OXIDATIVE STRESS | NAD(P)H-QUINONE OXIDOREDUCTASE-1 | CHEMISTRY, MEDICINAL | ANTICANCER AGENT | DRUG DESIGN | REDOX ACTIVATION | IDENTIFICATION | beta-Lapachone | POTENT | NADPH-Ferrihemoprotein Reductase - metabolism | Reactive Oxygen Species - metabolism | Antineoplastic Agents - chemical synthesis | Humans | Benzoquinones - chemistry | Structure-Activity Relationship | Drug Discovery | Patient Safety | NAD(P)H Dehydrogenase (Quinone) - metabolism | Antineoplastic Agents - pharmacology | Molecular Docking Simulation | Cell Death - drug effects | Binding Sites | Antimitotic agents | Safety and security measures | Antineoplastic agents | Quinone | Analysis | Index Medicus
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 01/2017, Volume 125, pp. 1002 - 1022
A novel scaffold of indoline thiohydantoin was discovered as potent androgen receptor (AR) antagonist through rational drug designation. Several compounds...
Antagonist | Indoline thiohydantoin derivatives | Prostate cancer | Androgen receptor | CHEMISTRY, MEDICINAL | ANDROGEN RECEPTOR ANTAGONISTS | THERAPY | BIOLOGICAL EVALUATION | MECHANISMS | MUTATIONS | DISCOVERY | BICALUTAMIDE | Phenylthiohydantoin - chemistry | Thiohydantoins - pharmacology | Antineoplastic Agents - chemical synthesis | Humans | Receptors, Androgen - metabolism | Male | Thiohydantoins - chemical synthesis | Phenylthiohydantoin - analogs & derivatives | Receptors, Androgen - drug effects | Active Transport, Cell Nucleus - drug effects | Cell Line, Tumor | Antineoplastic Agents - pharmacology | Cell Proliferation - drug effects | Molecular Docking Simulation | Indoles | Prostatic Neoplasms - drug therapy | Index Medicus
Antagonist | Indoline thiohydantoin derivatives | Prostate cancer | Androgen receptor | CHEMISTRY, MEDICINAL | ANDROGEN RECEPTOR ANTAGONISTS | THERAPY | BIOLOGICAL EVALUATION | MECHANISMS | MUTATIONS | DISCOVERY | BICALUTAMIDE | Phenylthiohydantoin - chemistry | Thiohydantoins - pharmacology | Antineoplastic Agents - chemical synthesis | Humans | Receptors, Androgen - metabolism | Male | Thiohydantoins - chemical synthesis | Phenylthiohydantoin - analogs & derivatives | Receptors, Androgen - drug effects | Active Transport, Cell Nucleus - drug effects | Cell Line, Tumor | Antineoplastic Agents - pharmacology | Cell Proliferation - drug effects | Molecular Docking Simulation | Indoles | Prostatic Neoplasms - drug therapy | Index Medicus
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 01/2015, Volume 56, Issue 2, p. 397
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Biomimetics
Biomimetics
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