Works matching DE "PHARMACOPHORE"
Results: 141
Isolation and Pharmacochemistry of α-Mangostin as a Chemotherapeutic Agent.
- Published in:
- Pharmacognosy Magazine, 2025, v. 21, n. 1, p. 27, doi. 10.1177/09731296241262567
- By:
- Publication type:
- Article
Pharmacophore, syndrome de Noé, tire-veine, and other newcomers in medical terminology. Analysis of official medical neologisms in FranceTerme.
- Published in:
- Moderna Sprak, 2024, v. 118, n. 3, p. 1, doi. 10.58221/mosp.v118i4.15019
- By:
- Publication type:
- Article
The synthesis and antiproliferative activity of isatin-7-sulfonamides.
- Published in:
- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 9, p. 473, doi. 10.1007/s10593-024-03365-5
- By:
- Publication type:
- Article
Watermelon: setup and validation of an in silico fragment-based approach.
- Published in:
- Journal of Enzyme Inhibition & Medicinal Chemistry, 2024, v. 39, n. 1, p. 1, doi. 10.1080/14756366.2024.2356179
- By:
- Publication type:
- Article
Ligand-based pharmacophore modelling, structure optimisation, and biological evaluation for the identification of 2-heteroarylthio-N-arylacetamides as novel HSP90 C-terminal inhibitors.
- Published in:
- Journal of Enzyme Inhibition & Medicinal Chemistry, 2024, v. 39, n. 1, p. 1, doi. 10.1080/14756366.2023.2290912
- By:
- Publication type:
- Article
Molecular docking of eleven snake venom peptides targeting human immunodeficiency virus capsid glycoprotein as inhibitors.
- Published in:
- Open Veterinary Journal, 2024, v. 14, n. 11, p. 2936, doi. 10.5455/OVJ.2024.v14.i11.22
- By:
- Publication type:
- Article
Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening.
- Published in:
- 2014
- By:
- Publication type:
- Journal Article
Novel design strategy for checkpoint kinase 2 inhibitors using pharmacophore modeling, combinatorial fusion, and virtual screening.
- Published in:
- 2014
- By:
- Publication type:
- Journal Article
Artificial intelligence to guide precision anticancer therapy with multitargeted kinase inhibitors.
- Published in:
- 2022
- By:
- Publication type:
- journal article
Inhibitory properties of quinopimaric acid derivatives towards cholinesterases.
- Published in:
- Natural Product Research, 2024, v. 38, n. 22, p. 3893, doi. 10.1080/14786419.2023.2266107
- By:
- Publication type:
- Article
Lessons learned in application driven imaging agent design for image-guided surgery.
- Published in:
- European Journal of Nuclear Medicine & Molecular Imaging, 2024, v. 51, n. 10, p. 3040, doi. 10.1007/s00259-024-06791-x
- By:
- Publication type:
- Article
Synthesis of Antifungal Heterocycle-Containing Mannich Bases: A Comprehensive Review.
- Published in:
- Organics, 2023, v. 4, n. 4, p. 503, doi. 10.3390/org4040035
- By:
- Publication type:
- Article
DESIGN OF NON-COVALENT DUAL-ACTING INHIBITORS FOR PROTEASES M<sup>PRO</sup> AND PL<sup>PRO</sup> OF CORONAVIRUS SARS-COV-2 THROUGH EVOLUTIONARY LIBRARY GENERATION, PHARMACOPHORE PROFILE MATCHING, AND MOLECULAR DOCKING CALCULATIONS.
- Published in:
- ScienceRise: Pharmaceutical Science, 2024, v. 52, n. 6, p. 15, doi. 10.15587/2519-4852.2024.313808
- By:
- Publication type:
- Article
[1,2,4]TRIAZINO[2,3-C]QUINAZOLINE HYBRIDS WITH AZOLE AND AZINE HETEROCYCLES: DESIGN, SYNTHESIS, ANTIBACTERIAL AND ANTIRADICAL ACTIVITY.
- Published in:
- ScienceRise: Pharmaceutical Science, 2024, v. 52, n. 6, p. 4, doi. 10.15587/2519-4852.2024.318160
- By:
- Publication type:
- Article
Synthetic studies on the tetrasubstituted D-ring of cystobactamids lead to potent terephthalic acid antibiotics.
- Published in:
- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01337-6
- By:
- Publication type:
- Article
THE CO-DRUG STRATEGY FOR METABOLIC DISEASES AND COMORBIDITY MANAGEMENT: A COMPREHENSIVE REVIEW.
- Published in:
- Biochemical & Cellular Archives, 2024, v. 24, n. 2, p. 1767, doi. 10.51470/bca.2024.24.2.1767
- By:
- Publication type:
- Article
Discovery of Potential Inhibitors for SFRP3: Ligand-Based 3D Pharmacophore, Virtual Screening, Molecular Docking, and Dynamics Studies.
- Published in:
- Polycyclic Aromatic Compounds, 2024, v. 44, n. 10, p. 6714, doi. 10.1080/10406638.2023.2283626
- By:
- Publication type:
- Article
Design, Synthesis of Some Innovative Indolo[3,2-c]Isoquinoline-5-One Analogs and Associated Bioactivities, Pharmacophore, Molecular Docking, MEP, and Conceptual DFT Studies.
- Published in:
- Polycyclic Aromatic Compounds, 2023, v. 43, n. 9, p. 8408, doi. 10.1080/10406638.2022.2149573
- By:
- Publication type:
- Article
Bisindole Compounds—Synthesis and Medicinal Properties.
- Published in:
- Antibiotics (2079-6382), 2024, v. 13, n. 12, p. 1212, doi. 10.3390/antibiotics13121212
- By:
- Publication type:
- Article
Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein.
- Published in:
- BioMed Research International, 2016, v. 2016, p. 1, doi. 10.1155/2016/3187647
- By:
- Publication type:
- Article
Screening Ingredients from Herbs against Pregnane X Receptor in the Study of Inductive Herb-Drug Interactions: Combining Pharmacophore and Docking-Based Rank Aggregation.
- Published in:
- BioMed Research International, 2015, v. 2015, p. 1, doi. 10.1155/2015/657159
- By:
- Publication type:
- Article
A REVIEW OF RECENT DEVELOPMENTS IN THE BIOLOGICAL ACTIVITY OF 1,3,4 THIADIAZOLES.
- Published in:
- Rasayan Journal of Chemistry, 2024, v. 17, n. 3, p. 809, doi. 10.31788/RJC.2024.1738857
- By:
- Publication type:
- Article
ORGANOCATALYZED GREEN PROTOCOL FOR PREPARATION OF 2-AMINO-7-HYDROXY-4-PHENYL-4H-1-BENZOPYRAN-3-CARBONITRILES THROUGH DABCO CATALYSIS IN WATER AND THEIR CONVERSION IN THERAPEUTICALLY POTENTIAL NOVEL 4HCHROMENO[ 2,3-D] PYRIMIDIN-2-THIONES.
- Published in:
- Rasayan Journal of Chemistry, 2024, v. 17, n. 2, p. 657, doi. 10.31788/RJC.2024.1728854
- By:
- Publication type:
- Article
Navigating pharmacophore space to identify activity discontinuities: A case study with BCR‐ABL.
- Published in:
- Molecular Informatics, 2024, v. 43, n. 8, p. 1, doi. 10.1002/minf.202400050
- By:
- Publication type:
- Article
Integrated workflow for the identification of new GABA<sub>A</sub>R positive allosteric modulators based on the in silico screening with further in vitro validation. Case study using Enamine's stock chemical space.
- Published in:
- Molecular Informatics, 2024, v. 43, n. 2, p. 1, doi. 10.1002/minf.202300156
- By:
- Publication type:
- Article
Modern Paradigm Towards Potential Target Identification for Antiviral (SARS-nCoV-2) and Anticancer Lipopeptides: A Pharmacophore-Based Approach.
- Published in:
- Avicenna Journal of Medical Biotechnology, 2022, v. 14, n. 1, p. 70, doi. 10.18502/ajmb.v14i1.8172
- By:
- Publication type:
- Article
Mitoxantrone and abacavir: An ALK protein-targeted in silico proposal for the treatment of non-small cell lung cancer.
- Published in:
- PLoS ONE, 2024, v. 19, n. 2, p. 1, doi. 10.1371/journal.pone.0295966
- By:
- Publication type:
- Article
Pharmacophore mapping approach to find anti-cancer phytochemicals with metformin-like activities against transforming growth factor (TGF)-beta receptor I kinase: An in silico study.
- Published in:
- PLoS ONE, 2023, v. 18, n. 11, p. 1, doi. 10.1371/journal.pone.0288208
- By:
- Publication type:
- Article
Inhibitory interaction of flavonoids with organic anion transporter 3 and their structure-activity relationships for predicting nephroprotective effects.
- Published in:
- Journal of Asian Natural Products Research, 2024, v. 26, n. 3, p. 353, doi. 10.1080/10286020.2023.2240722
- By:
- Publication type:
- Article
The Discovery of Putative Small Molecules via Ligand-based Pharmacophore Modelling Targeting Human Tau Protein for an Effective Treatment of Parkinson's Disease.
- Published in:
- Malaysian Journal of Medicine & Health Sciences, 2023, v. 19, n. 6, p. 83, doi. 10.47836/mjmhs.19.6.12
- By:
- Publication type:
- Article
Phytoconstituents of Withania somnifera (L.) Dunal (Ashwagandha) unveiled potential cerebroside sulfotransferase inhibitors: insight through virtual screening, molecular dynamics, toxicity, and reverse pharmacophore analysis.
- Published in:
- Journal of Biological Engineering, 2024, v. 18, n. 1, p. 1, doi. 10.1186/s13036-024-00456-x
- By:
- Publication type:
- Article
Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity.
- Published in:
- Environmental Health Perspectives, 2024, v. 132, n. 8, p. 085002-1, doi. 10.1289/EHP14001
- By:
- Publication type:
- Article
Synthesis of sildenafil and its derivatives bearing pyrazolo‐pyrimidinones scaffold.
- Published in:
- Bulletin of the Korean Chemical Society, 2024, v. 45, n. 9, p. 759, doi. 10.1002/bkcs.12893
- By:
- Publication type:
- Article
Molecular Regulator Driving Endometriosis Towards Endometrial Cancer: A Multi-Scale Computational Investigation to Repurpose Anti-Cancer drugs.
- Published in:
- Cell Biochemistry & Biophysics, 2024, v. 82, n. 4, p. 3367, doi. 10.1007/s12013-024-01420-8
- By:
- Publication type:
- Article
Identification of aryl hydrocarbon receptor allosteric antagonists from clinically approved drugs.
- Published in:
- Drug Development Research, 2024, v. 85, n. 5, p. 1, doi. 10.1002/ddr.22232
- By:
- Publication type:
- Article
Explore new quinoxaline pharmacophore tethered sulfonamide fragments as in vitro α‐glucosidase, α‐amylase, and acetylcholinesterase inhibitors with ADMET and molecular modeling simulation.
- Published in:
- Drug Development Research, 2024, v. 85, n. 4, p. 1, doi. 10.1002/ddr.22216
- By:
- Publication type:
- Article
Carbamate as a potential anti‐Alzheimer's pharmacophore: A review.
- Published in:
- Drug Development Research, 2023, v. 84, n. 8, p. 1624, doi. 10.1002/ddr.22113
- By:
- Publication type:
- Article
Phthalimide as a versatile pharmacophore scaffold: Unlocking its diverse biological activities.
- Published in:
- Drug Development Research, 2023, v. 84, n. 7, p. 1346, doi. 10.1002/ddr.22094
- By:
- Publication type:
- Article
Synthesis, evaluation, and docking study of adamantyl-1,3,4-oxadiazol hybrid compounds as CaMKIIδ kinase inhibitor.
- Published in:
- Journal of Chemical Research, 2024, v. 48, n. 3, p. 1, doi. 10.1177/17475198241262467
- By:
- Publication type:
- Article
Flavone Hybrids and Derivatives as Bioactive Agents.
- Published in:
- Applied Sciences (2076-3417), 2024, v. 14, n. 3, p. 1039, doi. 10.3390/app14031039
- By:
- Publication type:
- Article
Multistaged In Silico Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds.
- Published in:
- Journal of Chemistry, 2024, v. 2024, p. 1, doi. 10.1155/2024/2176512
- By:
- Publication type:
- Article
In silico profiling for secondary metabolites from Lepidium meyenii (maca) by the pharmacophore and ligand-shape-based joint approach.
- Published in:
- Chinese Medicine, 2016, v. 11, p. 1, doi. 10.1186/s13020-016-0112-y
- By:
- Publication type:
- Article
Unveiling the biomedical potential of thiophene‐derived Schiff base complexes: A comprehensive study of synthesis, spectral characterization, antimicrobial efficacy, antioxidant activity, and computational insights.
- Published in:
- Applied Organometallic Chemistry, 2024, v. 38, n. 5, p. 1, doi. 10.1002/aoc.7398
- By:
- Publication type:
- Article
COMPUTER MODELS FOR THE PREDICTION OF ANTIMICROBIAL ACTIVITY OF 4-((5-(DECYLTHIO)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL)MORPHOLINE AS A POTENTIAL MEDICINE.
- Published in:
- Issues of Chemistry & Chemical Technology / Voprosy Khimii & Khimicheskoi Tekhnologii, 2024, n. 4, p. 124, doi. 10.32434/0321-4095-2024-155-4-124-132
- By:
- Publication type:
- Article
Brazilin from Caesalpinia sappan L. as a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Inhibitor: Pharmacophore-Based Virtual Screening, In Silico Molecular Docking, and In Vitro Studies.
- Published in:
- Advances in Pharmacological & Pharmaceutical Sciences, 2023, p. 1, doi. 10.1155/2023/5932315
- By:
- Publication type:
- Article
In vitro and in vivo analyses of eFAP: a novel FAP-targeting small molecule for radionuclide theranostics and other oncological interventions.
- Published in:
- EJNMMI Radiopharmacy & Chemistry, 2024, v. 9, n. 1, p. 1, doi. 10.1186/s41181-024-00283-x
- By:
- Publication type:
- Article
Virtual design and screening of new (+)-catechin derivates N- and/or S-heterocyclic fragment for anti-malarial and anti-SARS-CoV-2 activities by In silico simulation.
- Published in:
- Journal of Drug Delivery & Therapeutics, 2024, v. 14, n. 9, p. 35, doi. 10.22270/jddt.v14i9.6762
- By:
- Publication type:
- Article
Fusing Bismuth and Mercaptocarboranes: Design and Biological Evaluation of Low‐Toxicity Antimicrobial Thiolato Complexes.
- Published in:
- ChemPlusChem, 2024, v. 89, n. 6, p. 1, doi. 10.1002/cplu.202300759
- By:
- Publication type:
- Article
Selective Non-toxics Inhibitors Targeting DHFR for Tuberculosis and Cancer Therapy: Pharmacophore Generation and Molecular Dynamics Simulation.
- Published in:
- Bioinformatics & Biology Insights, 2023, v. 17, p. 1, doi. 10.1177/11779322231171778
- By:
- Publication type:
- Article
Pharmacophore-Aided Virtual Screening and Molecular Dynamics Simulation Identifies TrkB Agonists for Treatment of CDKL5-Deficiency Disorders.
- Published in:
- Bioinformatics & Biology Insights, 2023, v. 17, p. 1, doi. 10.1177/11779322231158254
- By:
- Publication type:
- Article