Search results for "Multitarget"

showing 7 items of 7 documents

Kinase Inhibitors in Multitargeted Cancer Therapy

2017

The old-fashioned anticancer approaches, aiming in arresting cancer cell proliferation interfering with non-specific targets (e.g. DNA), have been replaced, in the last decades, by more specific target oriented ones. Nonetheless, single-target approaches have not always led to optimal outcomes because, for its complexity, cancer needs to be tackled at various levels by modulation of several targets. Although at present, combinations of individual single-target drugs represent the most clinically practiced therapeutic approaches, the modulation of multiple proteins by a single drug, in accordance with the polypharmacological strategy, has become more and more appealing. In the perspective of…

0301 basic medicineDrugNiacinamideIndolesPyridinesmedia_common.quotation_subjectPharmacologyBioinformaticsBiochemistryReceptor tyrosine kinase03 medical and health sciencesCrizotinibPiperidinesMultitargeted drugs anticancer agents polypharmacology tyrosine kinase receptors oncogene addiction tumor microenvironment FDA-approved drugsNeoplasmsDrug DiscoverymedicineSunitinibHumansAnilidesPyrrolesProtein Kinase Inhibitorsmedia_commonPharmacologyTumor microenvironmentbiologybusiness.industryPhenylurea CompoundsOrganic ChemistryImidazolesCancerReceptor Protein-Tyrosine KinasesSorafenibmedicine.diseaseOncogene AddictionSettore CHIM/08 - Chimica FarmaceuticaClinical trialPyridazines030104 developmental biologyMechanism of actionbiology.proteinImatinib MesylateQuinazolinesMolecular MedicinePyrazolesmedicine.symptombusinessTyrosine kinase
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Drugs Polypharmacology by in Silico Methods: New Opportunities in Drug Discovery

2016

Background Polypharmacology, defined as the modulation of multiple proteins rather than a single target to achieve a desired therapeutic effect, has been gaining increasing attention since 1990s, when industries had to withdraw several drugs due to their adverse effects, leading to permanent injuries or death, with multi-billiondollar legal damages. Therefore, if up to then the "one drug one target" paradigm had seen many researchers interest focused on the identification of selective drugs, with the strong expectation to avoid adverse drug reactions (ADRs), very recently new research strategies resulted more appealing even as attempts to overcome the decline in productivity of the drug dis…

0301 basic medicineDrugPolypharmacologymedia_common.quotation_subjectIn silicoNanotechnology03 medical and health sciencesBiological and chemical databases computational methods Drugs multitarget activity polypharmacology repurposingDrug DiscoveryMedicineHumansComputer SimulationPolypharmacologyRepurposingmedia_commonPharmacologyMolecular Structurebusiness.industryDrug discoveryDrug repositioningIdentification (information)030104 developmental biologyRisk analysis (engineering)businessChemical databaseSoftware
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Strategies to gain novel Alzheimer’s disease diagnostics and therapeutics using modulators of ABCA transporters

2021

Adenosine-triphosphate-(ATP)-binding cassette (ABC) transport proteins are ubiquitously present membrane-bound efflux pumps that distribute endo- and xenobiotics across intra- and intercellular barriers. Discovered over 40 years ago, ABC transporters have been identified as key players in various human diseases, such as multidrug-resistant cancer and atherosclerosis, but also neurodegenerative diseases, such as Alzheimer���s disease (AD). Most prominent and well-studied are ABCB1, ABCC1, and ABCG2, not only due to their contribution to the multidrug resistance (MDR) phenotype in cancer, but also due to their contribution to AD. However, our understanding of other ABC transporters is limited…

ABCG2 (BCRP)Multitarget inhibitor (PANABC)Broad-spectrum modulatorPolypharmacologyActivationNeurosciences. Biological psychiatry. NeuropsychiatryAmyloid-beta (Aβ / Abeta)ABCA2ABCA5ArticleABCA7InductionABCB1 (P-gp)Pattern analysisDownregulationPET Tracer (PETABC)ABC transporterABCA1 (ABC1)Rational drug design and developmentAlzheimer’s diseaseRC321-571ABCC1 (MRP1)InhibitionFree neuropathology
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Binding mode analysis of ABCA7 for the prediction of novel Alzheimer's disease therapeutics

2021

Graphical abstract

ATP Adenosine-triphosphateNBD nucleotide binding domainGSH reduced glutathionePolypharmacologyAlzheimer’s disease (AD)ATP-binding cassette transporterHTS high-throughput screeningBiochemistryABCA7Structural BiologyPLIF protein ligand interactionMSD membrane spanning domainPDB protein data bankTM transmembrane helixABC ATP-binding cassetteMultitarget modulation (PANABC)RMSD root mean square distanceABC transporter (ABCA1 ABCA4 ABCA7)Computer Science ApplicationsMOE Molecular Operating EnvironmentPharmacophoreSNP single-nucleotide polymorphismBiotechnologyResearch ArticleBBB blood-brain barrierBiophysicsDrug designComputational biologyBiologyAD Alzheimer’s diseasePET positron emission tomographyIC intracellular helixAPP amyloid precursor proteincryo-EM cryogenic-electron microscopyGeneticsHomology modelingBinding siteRational drug design and developmentComputingMethodologies_COMPUTERGRAPHICSNBD-cholesterol 7-nitro-2-13-benzoxadiazol-4-yl-cholesterolTransporterPSO particle swarm optimizationPET tracer (PETABC)ECD extracellular domainR-domain/region regulatory domain/regionABCA1biology.proteinEH extracellular helixTP248.13-248.65BODIPY-cholesterol 44-difluoro-4-bora-3a4a-diaza-s-indacene-cholesterolComputational and Structural Biotechnology Journal
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Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive b…

2021

Abstract Breast Cancer (BC) is a leading cause of death in women, currently affecting 13% of female population worldwide. First-line clinical treatments against Estrogen Receptor positive (ER+) BC rely on suppressing estrogen production, by inhibiting the aromatase (AR) enzyme, or on blocking estrogen-dependent pro-oncogenic signaling, by targeting Estrogen Receptor (ER) α with selective Modulators/Degraders (SERMs/SERDs). The development of dual acting molecules targeting AR and ERα represents a tantalizing alternative strategy to fight ER + BC, reducing the incidence of adverse effects and resistance onset that limit the effectiveness of these gold-standard therapies. Here, in silico desi…

Molecular dynamicAntineoplastic Agents Hormonalmedicine.drug_classIn silicoEstrogen receptorBreast NeoplasmsMolecular dynamicsQM/MMBreast cancerbreast cancerDrug DiscoverymedicineHumansAromataseIC50Pharmacologychemistry.chemical_classificationbiologyAromatase InhibitorsMultitargetOrganic ChemistryEstrogen AntagonistsAromatase inhibitorGeneral Medicinemedicine.diseaseSERMEnzymechemistryEstrogenCell cultureSettore CHIM/03 - Chimica Generale E InorganicaSERDbiology.proteinCancer researchFemale
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Switching from Aromatase Inhibitors to Dual Targeting Flavonoid-Based Compounds for Breast Cancer Treatment

2023

Despite the significant outcomes attained by scientific research, breast cancer (BC) still represents the second leading cause of death in women. Estrogen receptor-positive (ER+) BC accounts for the majority of diagnosed BCs, highlighting the disruption of estrogenic signalling as target for first-line treatment. This goal is presently pursued by inhibiting aromatase (AR) enzyme or by modulating Estrogen Receptor (ER) α. An appealing strategy for fighting BC and reducing side effects and resistance issues may lie in the design of multifunctional compounds able to simultaneously target AR and ER. In this paper, previously reported flavonoid-related potent AR inhibitors were suitably modified…

homoisoflavones; aromatase inhibitors; ERα ligands; multitarget; molecular dynamicsOrganic ChemistryPharmaceutical ScienceERα ligandshomoisoflavonesmolecular dynamicsaromatase inhibitorsAnalytical ChemistrySettore CHIM/03 - Chimica Generale E InorganicaChemistry (miscellaneous)Drug DiscoveryMolecular MedicinemultitargetPhysical and Theoretical ChemistryMolecules
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Combination of Rehabilitative Therapy with Ultramicronized Palmitoylethanolamide for Chronic Low Back Pain: An Observational Study

2019

Abstract Introduction Chronic low back pain (LBP) caused by intervertebral disc herniation was reported in the 2010 Global Burden of Disease study to be the main reason for years lived with disability. It causes significant personal, social, and economic burdens. Many of those who suffer from LBP find conventional medical treatments to be unsatisfactory for treating their pain, so they are increasingly resorting to complementary and alternative medicine (CAM) therapies. Given that the population is aging, there is an urgent need to characterize the combinations of complementary therapies that yield the best outcomes and treatments, even for prolonged periods. This observational study aimed …

medicine.medical_specialtyPain medicinePopulationlcsh:RD78.3-87.3Quality of lifeMedicineMultitarget approachNdultidisciplinary therapir:educationComplementary and alternative medicirreeducation.field_of_studyMassagebusiness.industryBrief ReportUltramicronized palmitlethanolamideChronic low back pajnChronic painmedicine.diseaseUltramicronized palmitoylethanolamideLow back painAnesthesiology and Pain MedicineComplementary and alternative medicinelcsh:AnesthesiologyMultidisciplinary therapiesPhysical therapyChronic low back painMcKenzie methodObservational studyNeurology (clinical)medicine.symptombusinessPain and Therapy
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