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Medicinal chemistry strategies for discovering antivirals effective against drug-resistant viruses.



Adiponectin predicts poor response to antidepressant drugs in major depressive disorder.



A selanylimidazopyridine (3-SePh-IP) reverses the prodepressant- and anxiogenic-like effects of a high-fat/high-fructose diet in mice.


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10.3389/fphar.2021.749189

Exploring Multifunctional Bioactive Components from Podophyllum sinense Using Multi-Target Ultrafiltration



Subchronic Toxicity Study of Oral Anthrafuran on Rabbits


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10.3390/molecules26123537

In Silico Insights into the Mechanism of Action of Epoxy-α-Lapachone and Epoxymethyl-Lawsone in Leishmania spp.


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10.1016/j.chembiol.2021.05.004

Evolution of kinase polypharmacology across HSP90 drug discovery.



Multi-Target Drugs for Kidney Diseases


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10.1016/j.molliq.2021.117284

Structural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: Comparative study based in elastic networks models


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10.1080/07853890.2021.1918345

Multi-target mechanism of Tripteryguim wilfordii Hook for treatment of ankylosing spondylitis based on network pharmacology and molecular docking



GSK-3β, FYN, and DYRK1A: Master Regulators in Neurodegenerative Pathways


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10.1371/journal.pone.0248140

Discovery of novel candidates for anti-liposarcoma therapies by medium-scale high-throughput drug screening


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10.1038/s41392-021-00741-x

Detection of an anti-angina therapeutic module in the effective population treated by a multi-target drug Danhong injection: a randomized trial


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10.1016/j.phrs.2021.105901

Dual BET/HDAC inhibition to relieve neuropathic pain: recent advances, perspectives, and future opportunities.


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10.3389/fphar.2021.702611

Advanced Computational Methodologies Used in the Discovery of New Natural Anticancer Compounds


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10.2174/1568026621666211012110819

Indirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery.


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10.3390/molecules26030629

Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening


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10.1093/database/baab036

mPPI: a database extension to visualize structural interactome in a one-to-many manner


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10.1080/07391102.2021.1918253

Exploring multi-target inhibitors using in silico approach targeting cell cycle dysregulator-CDK proteins.


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10.1101/2021.01.18.427058

Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase - Design, synthesis and biological evaluation


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10.3389/fphar.2021.730257

Single-Target Versus Multi-Target Drugs Versus Combinations of Drugs With Multiple Targets: Preclinical and Clinical Evidence for the Treatment or Prevention of Epilepsy


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10.1016/bs.acc.2020.09.004

Histone deacetylase in neuropathology.


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10.1080/07391102.2021.1989040

Exploring the interaction mechanism between potential inhibitor and multi-target Mur enzymes of mycobacterium tuberculosis using molecular docking, molecular dynamics simulation, principal component analysis, free energy landscape, dynamic cross-correlation matrices, vector movements, and binding fr


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10.2174/138945012205210223162131

Recent Medicinal Chemistry Studies for Multitarget Agents-Part I


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10.1016/j.mcn.2021.103624

Artesunate restores the levels of inhibitory synapse proteins and reduces amyloid-β and C-terminal fragments (CTFs) of the amyloid precursor protein in an AD-mouse model


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10.1016/j.neuroscience.2021.07.033

Fenretinide Beneficial Effects on Amyotrophic Lateral Sclerosis-associated SOD1G93A Mutant Protein Toxicity: In Vitro and In Vivo Evidences


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10.2174/0929867328666210902145102

Dual Targeting Strategies On Histone Deacetylase 6 (HDAC6) And Heat Shock Protein 90 (Hsp90).


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10.52711/0974-360x.2021.00774

Combination Vs. Multi-target drugs: The Clash of the titans in the arena of drug discovery; An overview and in silico evaluation


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10.1080/07391102.2021.1931451

Chemical system biology approach to identify multi-targeting FDA inhibitors for treating COVID-19 and associated health complications


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10.3390/molecules26061778

Molecular Modeling of Histamine Receptors—Recent Advances in Drug Discovery


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10.1007/s40203-021-00089-8

Computational screening of FDA approved drugs of fungal origin that may interfere with SARS-CoV-2 spike protein activation, viral RNA replication, and post‐translational modification: a multiple target approach


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10.3390/molecules26061658

Novel Donepezil–Arylsulfonamide Hybrids as Multitarget-Directed Ligands for Potential Treatment of Alzheimer’s Disease



Systems pharmacology: a combination strategy for improving efficacy of PD-1/PD-L1 blockade


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10.1016/B978-0-12-822312-3.00005-9

Multi-Target Drugs as Master Keys to Complex Diseases: Inverse Docking Strategies and Opportunities


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10.1080/07391102.2021.1921033

Antivirals virtual screening to SARS-CoV-2 non-structural proteins



Glycosaminoglycans from Litopenaeus vannamei Inhibit the Alzheimer’s Disease β Secretase, BACE1


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10.1016/j.imu.2021.100539

Evaluation of drug repositioning by molecular docking of pharmaceutical resources available in the Brazilian healthcare system against SARS-CoV-2


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10.3389/fonc.2021.719896

Advances of Targeted Therapy for Hepatocellular Carcinoma


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10.3389/fonc.2021.559822

Application of Advanced Mass Spectrometry-Based Proteomics to Study Hypoxia Driven Cancer Progression


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10.1080/07391102.2020.1869096

Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targets


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10.1016/j.chembiol.2021.06.004

Exploiting polypharmacology to dissect host kinases and kinase inhibitors that modulate endothelial barrier integrity.



Potential therapeutic targets and molecular details of anthocyan-treated inflammatory bowel disease: a systematic bioinformatics analysis of network pharmacology


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10.3389/fphar.2021.709607

Identification of Multi-Target Anti-AD Chemical Constituents From Traditional Chinese Medicine Formulae by Integrating Virtual Screening and In Vitro Validation


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