Combining empirical knowledge, in silico molecular docking and ADMET profiling to identify therapeutic phytochemicals from Brucea antidysentrica for acute myeloid leukemia.
PMID:35895695
Comprehensive Assessment of Indian Variations in the Druggable Kinome Landscape Highlights Distinct Insights at the Sequence, Structure and Pharmacogenomic Stratum.
PMID:35865963
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system.
PMID:35819579
A Mechanistic Exploratory Study on the Therapeutic Efficacy of Astragaloside IV Against Diabetic Retinopathy Revealed by Network Pharmacology.
PMID:35814228
Network Pharmacology and Data Mining Approach Reveal the Medication Rule of Traditional Chinese Medicine in the Treatment of Premenstrual Syndrome/Premenstrual Dysphoric Disorder.
PMID:35800440
Network Pharmacology Approach for Medicinal Plants: Review and Assessment.
PMID:35631398
Licoflavone A Suppresses Gastric Cancer Growth and Metastasis by Blocking the VEGFR-2 Signaling Pathway.
PMID:35509849
Mechanism of Jujube (Ziziphus jujuba Mill.) Fruit in the Appetite Regulation Based on Network Pharmacology and Molecular Docking Method.
PMID:35480085
Identification of Key Genes and Pathways in Peripheral Blood Mononuclear Cells of Type 1 Diabetes Mellitus by Integrated Bioinformatics Analysis.
PMID:35381625
Revealing Calcium Signaling Pathway as Novel Mechanism of Danhong Injection for Treating Acute Myocardial Infarction by Systems Pharmacology and Experiment Validation.
PMID:35281886
An in silico and in vitro integrated analysis method to reveal the curative mechanisms and pharmacodynamic substances of Bufei granule on chronic obstructive pulmonary disease.
PMID:35266101
Exploring the Potential Antidepressant Mechanisms of Pinellia by Using the Network Pharmacology and Molecular Docking.
PMID:35230627
Transcriptome-Based Molecular Networks Uncovered Interplay Between Druggable Genes of CD8+ T Cells and Changes in Immune Cell Landscape in Patients With Pulmonary Tuberculosis.
PMID:35198572
Network Pharmacology and Molecular Docking Analysis on Pharmacological Mechanisms of Astragalus membranaceus in the Treatment of Gastric Ulcer.
PMID:35140802
The System Research of the Molecular Mechanism of Quyushengxin Capsule in the Treatment of Osteonecrosis of the Femoral Head.
PMID:35069756
Proteomic Characterization and Target Identification Against Streptococcus mutans Under Bacitracin Stress Conditions Using LC-MS and Subtractive Proteomics.
PMID:34989956
Potential Mechanism of Dingji Fumai Decoction Against Atrial Fibrillation Based on Network Pharmacology, Molecular Docking, and Experimental Verification Integration Strategy.
PMID:34859062
Identification of the Active Constituents and Significant Pathways of Shen-qi-Yi-zhu Decoction on Antigastric Cancer: A Network Pharmacology Research and Experimental Validation.
PMID:34853601
Facilitating Antiviral Drug Discovery Using Genetic and Evolutionary Knowledge.
PMID:34834924
A Novel In Silico Benchmarked Pipeline Capable of Complete Protein Analysis: A Possible Tool for Potential Drug Discovery.
PMID:34827106
Learning from low-rank multimodal representations for predicting disease-drug associations.
PMID:34736437
Natural products for infectious microbes and diseases: an overview of sources, compounds, and chemical diversities.
PMID:34705221
Gene Network Analysis of Alzheimer's Disease Based on Network and Statistical Methods.
PMID:34682089
The Expanding Role of Pyridine and Dihydropyridine Scaffolds in Drug Design.
PMID:34675489
Drug repositioning by merging active subnetworks validated in cancer and COVID-19.
PMID:34615934
Myrtenal and β-caryophyllene oxide screened from Liquidambaris Fructus suppress NLRP3 inflammasome components in rheumatoid arthritis.
PMID:34583676
Comprehensive Survey of Recent Drug Discovery Using Deep Learning.
PMID:34576146
Losartan and Eprosartan Induce a Similar Effect on the Acute Rise in Serum Uric Acid Concentration after an Oral Fructose Load in Patients with Metabolic Syndrome.
PMID:34527078
An Efficient Synthesis of 2-CF3-3-Benzylindoles.
PMID:34443672
Network Pharmacology Approach for Predicting Targets of Zishen Yutai Pills on Premature Ovarian Insufficiency.
PMID:34394393
Machine learning approaches for drug combination therapies.
PMID:34368832
Exploring the Mechanism of Scutellaria baicalensis Georgi Efficacy against Oral Squamous Cell Carcinoma Based on Network Pharmacology and Molecular Docking Analysis.
PMID:34335829
Host metabolic reprogramming in response to SARS-CoV-2 infection: A systems biology approach.
PMID:34333072
Network-based repurposing identifies anti-alarmins as drug candidates to control severe lung inflammation in COVID-19.
PMID:34293006
Computational Drug Repurposing for Alzheimer's Disease Using Risk Genes From GWAS and Single-Cell RNA Sequencing Studies.
PMID:34276354
Study of the Active Components and Molecular Mechanism of Tripterygium wilfordii in the Treatment of Diabetic Nephropathy.
PMID:34164430
Evolving scenario of big data and Artificial Intelligence (AI) in drug discovery.
PMID:34159484
Investigating the active compounds and mechanism of HuaShi XuanFei formula for prevention and treatment of COVID-19 based on network pharmacology and molecular docking analysis.
PMID:34105049
Personalized Medicine for Neuroblastoma: Moving from Static Genotypes to Dynamic Simulations of Drug Response.
PMID:34064704
Structure-based drug repurposing against COVID-19 and emerging infectious diseases: methods, resources and discoveries.
PMID:33993214
Advances in Genomic Discovery and Implications for Personalized Prevention and Medicine: Estonia as Example.
PMID:33946982
A Highly Selective In Vitro JNK3 Inhibitor, FMU200, Restores Mitochondrial Membrane Potential and Reduces Oxidative Stress and Apoptosis in SH-SY5Y Cells.
PMID:33918172
A New Insight for the Identification of Oncogenic Variants in Breast and Prostate Cancers in Diverse Human Populations, With a Focus on Latinos.
PMID:33912047
PreDTIs: prediction of drug-target interactions based on multiple feature information using gradient boosting framework with data balancing and feature selection techniques.
PMID:33709119
Systematic insight into the active constituents and mechanism of Guiqi Baizhu for the treatment of gastric cancer.
PMID:33682294
Variability of the Genes Involved in the Cellular Redox Status and Their Implication in Drug Hypersensitivity Reactions.
PMID:33672092
Molecular mechanisms of An-Chuan Granule for the treatment of asthma based on a network pharmacology approach and experimental validation.
PMID:33645621
Drug repurposing for COVID-19 via knowledge graph completion.
PMID:33571675
Therapeutic Targeting of Nemo-like Kinase in Primary and Acquired Endocrine-resistant Breast Cancer.
PMID:33542078
G-Protein-Coupled Receptor and Ion Channel Genes Used by Influenza Virus for Replication.
PMID:33536179
Development, optimization and characterization of nanoemulsion loaded with clove oil-naftifine antifungal for the management of tinea.
PMID:33517791
Potential effect of Maxing Shigan decoction against coronavirus disease 2019 (COVID-19) revealed by network pharmacology and experimental verification.
PMID:33513419
Potential Herb-Drug Interactions in the Management of Age-Related Cognitive Dysfunction.
PMID:33478035
An efficient computational method for predicting drug-target interactions using weighted extreme learning machine and speed up robot features.
PMID:33472664
An Integrated Approach to Identify New Anti-Filarial Leads to Treat River Blindness, a Neglected Tropical Disease.
PMID:33466870
Screening druggable targets and predicting therapeutic drugs for COVID-19 via integrated bioinformatics analysis.
PMID:33428154
Pathway Maps of Orphan and Complex Diseases Using an Integrative Computational Approach.
PMID:33376724
Uncovering the pharmacological mechanism of the effects of the Banxia-Xiakucao Chinese Herb Pair on sleep disorder by a systems pharmacology approach.
PMID:33235305
Metolazone upregulates mitochondrial chaperones and extends lifespan in Caenorhabditis elegans.
PMID:33216250
KG-COVID-19: A Framework to Produce Customized Knowledge Graphs for COVID-19 Response.
PMID:33196056
A Machine Learning Method for Drug Combination Prediction.
PMID:33193585
Network pharmacology and molecular docking analyses on Lianhua Qingwen capsule indicate Akt1 is a potential target to treat and prevent COVID-19.
PMID:33140889
Anticancer drug synergy prediction in understudied tissues using transfer learning.
PMID:33040150
Ensemble Learning Prediction of Drug-Target Interactions Using GIST Descriptor Extracted from PSSM-Based Evolutionary Information.
PMID:32908888
Network Pharmacology-Based Approach to Revealing Biological Mechanisms of Qingkailing Injection against IschemicStroke: Focusing on Blood-Brain Barrier.
PMID:32908557
A Bioinformatics Research on Novel Mechanism of Compound Kushen Injection for Treating Breast Cancer by Network Pharmacology and Molecular Docking Verification.
PMID:32849897
KG-COVID-19: a framework to produce customized knowledge graphs for COVID-19 response.
PMID:32839776
Predicting novel drugs for SARS-CoV-2 using machine learning from a >10 million chemical space.
PMID:32802980
Mechanisms of Spica Prunellae against thyroid-associated Ophthalmopathy based on network pharmacology and molecular docking.
PMID:32689994
Co-expression network analysis identifies a gene signature as a predictive biomarker for energy metabolism in osteosarcoma.
PMID:32581649
pyMeSHSim: an integrative python package for biomedical named entity recognition, normalization, and comparison of MeSH terms.
PMID:32552728
Reveal the Regulation Patterns of Prognosis-Related miRNAs and lncRNAs Across Solid Tumors in the Cancer Genome Atlas.
PMID:32523951
ThETA: transcriptome-driven efficacy estimates for gene-based TArget discovery.
PMID:32437556
Transcriptional and Cellular Diversity of the Human Heart.
PMID:32403949
Towards the routine use of in silico screenings for drug discovery using metabolic modelling.
PMID:32369553
A Network-Based Approach to Explore the Mechanisms of Uncaria Alkaloids in Treating Hypertension and Alleviating Alzheimer's Disease.
PMID:32143538
Hydrogen Sulfide in Pharmacotherapy, Beyond the Hydrogen Sulfide-Donors.
PMID:32085474
Machine learning approaches and databases for prediction of drug-target interaction: a survey paper.
PMID:31950972
Ifenprodil and Flavopiridol Identified by Genomewide RNA Interference Screening as Effective Drugs To Ameliorate Murine Acute Lung Injury after Influenza A H5N1 Virus Infection.
PMID:31822599
An omics perspective on drug target discovery platforms.
PMID:31774113
Computational/in silico methods in drug target and lead prediction.
PMID:31711157
Systems Pharmacology-Based Method to Assess the Mechanism of Action of Weight-Loss Herbal Intervention Therapy for Obesity.
PMID:31680953
Erxian Decoction Attenuates TNF-α Induced Osteoblast Apoptosis by Modulating the Akt/Nrf2/HO-1 Signaling Pathway.
PMID:31551787
Molecular Docking: Shifting Paradigms in Drug Discovery.
PMID:31487867
Drug-Target Interaction Prediction Based on Drug Fingerprint Information and Protein Sequence.
PMID:31430892
The Methodological Trends of Traditional Herbal Medicine Employing Network Pharmacology.
PMID:31412658
Comparison of Target Features for Predicting Drug-Target Interactions by Deep Neural Network Based on Large-Scale Drug-Induced Transcriptome Data.
PMID:31382356
A Systems Pharmacology-Based Study of the Molecular Mechanisms of San Cao Decoction for Treating Hypertension.
PMID:31354853
Identify the Key Active Ingredients and Pharmacological Mechanisms of Compound XiongShao Capsule in Treating Diabetic Peripheral Neuropathy by Network Pharmacology Approach.
PMID:31210774
Molecular mechanisms involved in drug-induced liver injury caused by urate-lowering Chinese herbs: A network pharmacology study and biology experiments.
PMID:31141540
Systematically Characterize the Anti-Alzheimer's Disease Mechanism of Lignans from S. chinensis based on In-Vivo Ingredient Analysis and Target-Network Pharmacology Strategy by UHPLC⁻Q-TOF-MS.
PMID:30934777
Identification of Cancer Hallmarks Based on the Gene Co-expression Networks of Seven Cancers.
PMID:30838028
CSgator: an integrated web platform for compound set analysis.
PMID:30830479
Driver network as a biomarker: systematic integration and network modeling of multi-omics data to derive driver signaling pathways for drug combination prediction.
PMID:30768150
A Novel Discovery: Holistic Efficacy at the Special Organ Level of Pungent Flavored Compounds from Pungent Traditional Chinese Medicine.
PMID:30754631
A Network Pharmacology Analysis to Explore the Effect of Astragali Radix-Radix Angelica Sinensis on Traumatic Brain Injury.
PMID:30596090
YaTCM: Yet another Traditional Chinese Medicine Database for Drug Discovery.
PMID:30546860
Anti-Inflammatory Effect of a TCM Formula Li-Ru-Kang in Rats With Hyperplasia of Mammary Gland and the Underlying Biological Mechanisms.
PMID:30524280
Exploring Pharmacological Mechanisms of Xuefu Zhuyu Decoction in the Treatment of Traumatic Brain Injury via a Network Pharmacology Approach.
PMID:30402137
Synergism of antihypertensives and cholinesterase inhibitors in Alzheimer's disease.
PMID:30386819
Computational resources associating diseases with genotypes, phenotypes and exposures.
PMID:30102366
ADReCS-Target: target profiles for aiding drug safety research and application.
PMID:30053268
Systems Pharmacological Approach to Investigate the Mechanism of Acori Tatarinowii Rhizoma for Alzheimer's Disease.
PMID:30050590
Hepatoprotective Effect of San-Cao Granule on Con A-Induced Liver Injury in Mice and Mechanisms of Action Exploration.
PMID:29946260
Changing Trends in Computational Drug Repositioning.
PMID:29874824
Network-based machine learning and graph theory algorithms for precision oncology.
PMID:29872707
DR2DI: a powerful computational tool for predicting novel drug-disease associations.
PMID:29687309
Docking-based inverse virtual screening: methods, applications, and challenges.
PMID:29577065
Screening for Biologically Annotated Drugs That Trigger Triacylglycerol Accumulation in the Diatom Phaeodactylum.
PMID:29535162
Bioinformatics analysis of gene expression alterations conferring drug resistance in tumor samples from melanoma patients with EGFR-activating BRAF mutations.
PMID:29387237
A census of P. longum's phytochemicals and their network pharmacological evaluation for identifying novel drug-like molecules against various diseases, with a special focus on neurological disorders.
PMID:29320554
Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics.
PMID:29140520
Mathematical modeling and computational prediction of cancer drug resistance.
PMID:28981626
Evidence-Based Precision Oncology with the Cancer Targetome.
PMID:28964549
NiaoDuQing granules relieve chronic kidney disease symptoms by decreasing renal fibrosis and anemia.
PMID:28915563
From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns.
PMID:28900272
In silico prediction of drug-target interaction networks based on drug chemical structure and protein sequences.
PMID:28894115
Synergic Anti-Pruritus Mechanisms of Action for the Radix Sophorae Flavescentis and Fructus Cnidii Herbal Pair.
PMID:28869563
The STAT3 inhibitor pimozide impedes cell proliferation and induces ROS generation in human osteosarcoma by suppressing catalase expression.
PMID:28861175
Development of a high-throughput fluorescence polarization assay for the discovery of EZH2-EED interaction inhibitors.
PMID:28858300
Cell Surface Proteomics of N-Linked Glycoproteins for Typing of Human Lymphocytes.
PMID:28834292
Prediction of Drug-Target Interaction Networks from the Integration of Protein Sequences and Drug Chemical Structures.
PMID:28678206
Network mirroring for drug repositioning.
PMID:28539121
Use of Graph Database for the Integration of Heterogeneous Biological Data.
PMID:28416946
CATTLE (CAncer treatment treasury with linked evidence): An integrated knowledge base for personalized oncology research and practice.
PMID:28296354
Characterization of cytokinome landscape for clinical responses in human cancers.
PMID:27999736
A comprehensive map of molecular drug targets.
PMID:27910877
Identification of MYST3 as a novel epigenetic activator of ERα frequently amplified in breast cancer.
PMID:27893709
Systems pharmacology exploration of botanic drug pairs reveals the mechanism for treating different diseases.
PMID:27841365
Large-scale identification of adverse drug reaction-related proteins through a random walk model.
PMID:27805066
A small molecule screening to detect potential therapeutic targets in human podocytes.
PMID:27760769
Comprehensive functional analysis of the tousled-like kinase 2 frequently amplified in aggressive luminal breast cancers.
PMID:27694828
New HSP27 inhibitors efficiently suppress drug resistance development in cancer cells.
PMID:27626687
BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
PMID:27330567
DrugQuest - a text mining workflow for drug association discovery.
PMID:27295093
A network pharmacology approach to discover active compounds and action mechanisms of San-Cao Granule for treatment of liver fibrosis.
PMID:26929602
Essential proteins and possible therapeutic targets of Wolbachia endosymbiont and development of FiloBase--a comprehensive drug target database for Lymphatic filariasis.
PMID:26806463
Integrative bioinformatic analyses of an oncogenomic profile reveal the biology of endometrial cancer and guide drug discovery.
PMID:26716509
Prediction of Druggable Proteins Using Machine Learning and Systems Biology: A Mini-Review.
PMID:26696900
Ambiguity of non-systematic chemical identifiers within and between small-molecule databases.
PMID:26579214
Potential Compounds for Oral Cancer Treatment: Resveratrol, Nimbolide, Lovastatin, Bortezomib, Vorinostat, Berberine, Pterostilbene, Deguelin, Andrographolide, and Colchicine.
PMID:26536350
Systematic analysis of the associations between adverse drug reactions and pathways.
PMID:26495310
Geroprotectors.org: a new, structured and curated database of current therapeutic interventions in aging and age-related disease.
PMID:26342919
Integrated analysis of numerous heterogeneous gene expression profiles for detecting robust disease-specific biomarkers and proposing drug targets.
PMID:26261215
Systems Pharmacology Dissecting Holistic Medicine for Treatment of Complex Diseases: An Example Using Cardiocerebrovascular Diseases Treated by TCM.
PMID:26101539
Analysis of Cynandione A's Anti-Ischemic Stroke Effects from Pathways and Protein-Protein Interactome.
PMID:25955557
In silico search of energy metabolism inhibitors for alternative leishmaniasis treatments.
PMID:25918726
Recognition of chemical entities: combining dictionary-based and grammar-based approaches.
PMID:25810767
Repurpose terbutaline sulfate for amyotrophic lateral sclerosis using electronic medical records.
PMID:25739475
A systematic approach to identify novel cancer drug targets using machine learning, inhibitor design and high-throughput screening.
PMID:25165489
Potential therapeutic targets for oral cancer: ADM, TP53, EGFR, LYN, CTLA4, SKIL, CTGF, CD70.
PMID:25029526
VNP: Interactive Visual Network Pharmacology of Diseases, Targets, and Drugs.
PMID:24622768
Navigating the multilayered organization of eukaryotic signaling: a new trend in data integration.
PMID:24550716
Combining heterogenous data for prediction of disease related and pharmacogenes.
PMID:24297559
Exploring drug-target interaction networks of illicit drugs.
PMID:24268016
Prediction of effective drug combinations by chemical interaction, protein interaction and target enrichment of KEGG pathways.
PMID:24083237
DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies.
PMID:23681121
Leveraging concept-based approaches to identify potential phyto-therapies.
PMID:23665360
Identification and characterization of potential therapeutic candidates in emerging human pathogen Mycobacterium abscessus: a novel hierarchical in silico approach.
PMID:23527108
CancerDR: cancer drug resistance database.
PMID:23486013
Interaction of herbal compounds with biological targets: a case study with berberine.
PMID:23213296
Systems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication.
PMID:23168537
Computational drug discovery.
PMID:22922346
A strategy based on protein-protein interface motifs may help in identifying drug off-targets.
PMID:22817115
Prediction of chemical-protein interactions network with weighted network-based inference method.
PMID:22815915
A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data.
PMID:22666371
Relax with CouchDB--into the non-relational DBMS era of bioinformatics.
PMID:22609849
A genome-wide study of cytogenetic changes in colorectal cancer using SNP microarrays: opportunities for future personalized treatment.
PMID:22363777
Prediction of drug combinations by integrating molecular and pharmacological data.
PMID:22219721
STITCH 3: zooming in on protein-chemical interactions.
PMID:22075997
Genome sequencing and comparison of two nonhuman primate animal models, the cynomolgus and Chinese rhesus macaques.
PMID:22002653
Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery.
PMID:21948793
Bioinformatics and systems biology of the lipidome.
PMID:21939287
Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.
PMID:21834535
HelmCoP: an online resource for helminth functional genomics and drug and vaccine targets prioritization.
PMID:21760913
Software and resources for computational medicinal chemistry.
PMID:21707404
Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds.
PMID:21569515
Exploring off-targets and off-systems for adverse drug reactions via chemical-protein interactome--clozapine-induced agranulocytosis as a case study.
PMID:21483481
Dr. PIAS: an integrative system for assessing the druggability of protein-protein interactions.
PMID:21303559
Mapping tissue-specific expression of extracellular proteins using systematic glycoproteomic analysis of different mouse tissues.
PMID:20828161
Systems approaches to polypharmacology and drug discovery.
PMID:20443163
Identifying unexpected therapeutic targets via chemical-protein interactome.
PMID:20221449
DIGA--a database of improved gene annotation for phytopathogens.
PMID:20089203
Update of TTD: Therapeutic Target Database.
PMID:19933260
Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.
PMID:19785456
Identification of N-glycan serum markers associated with hepatocellular carcinoma from mass spectrometry data.
PMID:19764807
Harvesting candidate genes responsible for serious adverse drug reactions from a chemical-protein interactome.
PMID:19629158
Perturbation of interaction networks for application to cancer therapy.
PMID:19390668
Drug-therapy networks and the prediction of novel drug targets.
PMID:18710588
Searching the Tritryp genomes for drug targets.
PMID:18365664
PDTD: a web-accessible protein database for drug target identification.
PMID:18282303
STITCH: interaction networks of chemicals and proteins.
PMID:18084021
DrugBank: a knowledgebase for drugs, drug actions and drug targets.
PMID:18048412
SuperTarget and Matador: resources for exploring drug-target relationships.
PMID:17942422
Prediction of potential drug targets based on simple sequence properties.
PMID:17883836
A network-based method for target selection in metabolic networks.
PMID:17463022
Pathways and genes differentially expressed in the motor cortex of patients with sporadic amyotrophic lateral sclerosis.
PMID:17244347
PharmGED: Pharmacogenetic Effect Database.
PMID:17151074
TarFisDock: a web server for identifying drug targets with docking approach.
PMID:16844997
DrugBank: a comprehensive resource for in silico drug discovery and exploration.
PMID:16381955
Genome-wide characterisation of the binding repertoire of small molecule drugs.
PMID:15601532
ONCOMINE: a cancer microarray database and integrated data-mining platform.
PMID:15068665