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Curcumin Chalcone Derivatives Database (CCDD): a Python framework for natural compound derivatives database.
- Published in:
- PeerJ, 2023, p. 1, doi. 10.7717/peerj.15885
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- Article
Repurposing and computational design of PARP inhibitors as SARS-CoV-2 inhibitors.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-36342-7
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- Article
An overview on monkeypox virus: Pathogenesis, transmission, host interaction and therapeutics.
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- Frontiers in Cellular & Infection Microbiology, 2023, v. 13, p. 1, doi. 10.3389/fcimb.2023.1076251
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- Article
Inhibition of DDX3 and COX-2 by forskolin and evaluation of anti-proliferative, pro-apoptotic effects on cervical cancer cells: molecular modelling and in vitro approaches.
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- Medical Oncology, 2022, v. 39, n. 6, p. 1, doi. 10.1007/s12032-022-01658-3
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- Article
Inhibition of DDX3 and COX-2 by forskolin and evaluation of anti-proliferative, pro-apoptotic effects on cervical cancer cells: molecular modelling and in vitro approaches.
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- 2022
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- Publication type:
- journal article
Molecular Docking and Molecular Dynamics Simulations Discover Curcumin Analogue as a Plausible Dual Inhibitor for SARS-CoV-2.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 3, p. 1771, doi. 10.3390/ijms23031771
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- Article
Screening and Identification of Potential iNOS Inhibitors to Curtail Cervical Cancer Progression: an In Silico Drug Repurposing Approach.
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- Applied Biochemistry & Biotechnology, 2022, v. 194, n. 1, p. 570, doi. 10.1007/s12010-021-03718-2
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- Article
Novel Butein Derivatives Repress DDX3 Expression by Inhibiting PI3K/AKT Signaling Pathway in MCF-7 and MDA-MB-231 Cell Lines.
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- Frontiers in Oncology, 2021, v. 11, p. 1, doi. 10.3389/fonc.2021.712824
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- Article
Computational Approaches to Discover Novel Natural Compounds for SARS-CoV-2 Therapeutics.
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- ChemistryOpen, 2021, v. 10, n. 5, p. 593, doi. 10.1002/open.202000332
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- Article
Transcriptome analysis of sinensetin-treated liver cancer cells guided by biological network analysis.
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- Oncology Letters, 2021, v. 21, n. 5, p. N.PAG
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- Article
Computer-Aided Drug Discovery Identifies Alkaloid Inhibitors of Parkinson's Disease Associated Protein, Prolyl Oligopeptidase.
- Published in:
- Evidence-based Complementary & Alternative Medicine (eCAM), 2021, p. 1, doi. 10.1155/2021/6687572
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- Publication type:
- Article
Marine-Derived Natural Products as ATP-Competitive mTOR Kinase Inhibitors for Cancer Therapeutics.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 3, p. 282, doi. 10.3390/ph14030282
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- Article
Old Drugs for New Purpose—Fast Pace Therapeutic Identification for SARS‐CoV‐2 Infections by Pharmacophore Guided Drug Repositioning Approach.
- Published in:
- Bulletin of the Korean Chemical Society, 2021, v. 42, n. 2, p. 212, doi. 10.1002/bkcs.12171
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- Article
In Silico Study Identified Methotrexate Analog as Potential Inhibitor of Drug Resistant Human Dihydrofolate Reductase for Cancer Therapeutics.
- Published in:
- Molecules, 2020, v. 25, n. 15, p. 3510, doi. 10.3390/molecules25153510
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- Article
Sinensetin Induces Autophagic Cell Death through p53-Related AMPK/mTOR Signaling in Hepatocellular Carcinoma HepG2 Cells.
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- Nutrients, 2020, v. 12, n. 8, p. 2462, doi. 10.3390/nu12082462
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- Article
A Computational Approach with Biological Evaluation: Combinatorial Treatment of Curcumin and Exemestane Synergistically Regulates DDX3 Expression in Cancer Cell Lines.
- Published in:
- Biomolecules (2218-273X), 2020, v. 10, n. 6, p. 857, doi. 10.3390/biom10060857
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- Publication type:
- Article
Correction to: Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations.
- Published in:
- 2019
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- Publication type:
- journal article
Computational Simulations Identify Pyrrolidine-2,3-Dione Derivatives as Novel Inhibitors of Cdk5/p25 Complex to Attenuate Alzheimer's Pathology.
- Published in:
- Journal of Clinical Medicine, 2019, v. 8, n. 5, p. 746, doi. 10.3390/jcm8050746
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- Article
Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer.
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- Oxidative Medicine & Cellular Longevity, 2019, p. 1, doi. 10.1155/2019/5189490
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- Publication type:
- Article
Discovery of Small Molecules That Target Vascular Endothelial Growth Factor Receptor-2 Signalling Pathway Employing Molecular Modelling Studies.
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- Cells (2073-4409), 2019, v. 8, n. 3, p. 269, doi. 10.3390/cells8030269
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- Article
Discovery of Novel Acetylcholinesterase Inhibitors as Potential Candidates for the Treatment of Alzheimer's Disease.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 4, p. 1000, doi. 10.3390/ijms20041000
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- Publication type:
- Article
In Silico Study Probes Potential Inhibitors of Human Dihydrofolate Reductase for Cancer Therapeutics.
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- Journal of Clinical Medicine, 2019, v. 8, n. 2, p. 233, doi. 10.3390/jcm8020233
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- Publication type:
- Article
Natural Compound Modulates the Cervical Cancer Microenvironment—A Pharmacophore Guided Molecular Modelling Approaches.
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- Journal of Clinical Medicine, 2018, v. 7, n. 12, p. 551, doi. 10.3390/jcm7120551
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- Article
Discovery of Potential Plant-Derived Peptide Deformylase (PDF) Inhibitors for Multidrug-Resistant Bacteria Using Computational Studies.
- Published in:
- Journal of Clinical Medicine, 2018, v. 7, n. 12, p. 563, doi. 10.3390/jcm7120563
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- Publication type:
- Article
Discovery of Non-Peptidic Compounds against Chagas Disease Applying Pharmacophore Guided Molecular Modelling Approaches.
- Published in:
- Molecules, 2018, v. 23, n. 12, p. 3054, doi. 10.3390/molecules23123054
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- Publication type:
- Article
Comparative Proteomic Profiling of Tumor-Associated Proteins in Human Gastric Cancer Cells Treated with Pectolinarigenin.
- Published in:
- Nutrients, 2018, v. 10, n. 11, p. 1596, doi. 10.3390/nu10111596
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- Article
Exploring the Therapeutic Ability of Fenugreek against Type 2 Diabetes and Breast Cancer Employing Molecular Docking and Molecular Dynamics Simulations.
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- Evidence-based Complementary & Alternative Medicine (eCAM), 2018, v. 2018, p. 1, doi. 10.1155/2018/1943203
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- Publication type:
- Article
Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
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- Journal of Bioinformatics & Computational Biology, 2018, v. 16, n. 3, p. N.PAG, doi. 10.1142/S0219720018400152
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- Article
Ginger (<italic>Zingiber officinale</italic>) phytochemicals—gingerenone-A and shogaol inhibit SaHPPK: molecular docking, molecular dynamics simulations and in vitro approaches.
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- Annals of Clinical Microbiology & Antimicrobials, 2018, v. 17, p. 1, doi. 10.1186/s12941-018-0266-9
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- Publication type:
- Article
Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations.
- Published in:
- 2018
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- Publication type:
- journal article
Computational Exploration for Lead Compounds That Can Reverse the Nuclear Morphology in Progeria.
- Published in:
- BioMed Research International, 2017, v. 2017, p. 1, doi. 10.1155/2017/5270940
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- Publication type:
- Article
Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies.
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- BioMed Research International, 2017, v. 2017, p. 1, doi. 10.1155/2017/2105610
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- Publication type:
- Article
Network Based Approach in the Establishment of the Relationship between Type 2 Diabetes Mellitus and Its Complications at the Molecular Level Coupled with Molecular Docking Mechanism.
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- BioMed Research International, 2016, v. 2016, p. 1, doi. 10.1155/2016/6068437
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- Article
Role of quassinoids as potential antimalarial agents: An in silico approach.
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- Ancient Science of Life, 2015, v. 35, n. 2, p. 85, doi. 10.4103/0257-7941.171676
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- Publication type:
- Article