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Exploring the phytochemicals, antioxidant properties, and hepatoprotective potential of Moricandia sinaica leaves against paracetamol-induced toxicity: Biological evaluations and in Silico insights.
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- PLoS ONE, 2024, v. 19, n. 10, p. 1, doi. 10.1371/journal.pone.0307901
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- Article
Hydrogen Sulfide-Releasing Carbonic Anhydrase Inhibitors Effectively Suppress Cancer Cell Growth.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 18, p. 10006, doi. 10.3390/ijms251810006
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- Article
The Discovery of Potential SARS-CoV-2 Natural Inhibitors among 4924 African Metabolites Targeting the Papain-like Protease: A Multi-Phase In Silico Approach.
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- Metabolites (2218-1989), 2022, v. 12, n. 11, p. 1122, doi. 10.3390/metabo12111122
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- Article
A New Anticancer Semisynthetic Theobromine Derivative Targeting EGFR Protein: CADDD Study.
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- Life (2075-1729), 2023, v. 13, n. 1, p. 191, doi. 10.3390/life13010191
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- Article
Discovery of Potential SARS-CoV-2 Papain-like Protease Natural Inhibitors Employing a Multi-Phase In Silico Approach.
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- Life (2075-1729), 2022, v. 12, n. 9, p. 1407, doi. 10.3390/life12091407
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- Article
A multi-class deep learning model for early lung cancer and chronic kidney disease detection using computed tomography images.
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- Frontiers in Oncology, 2023, p. 1, doi. 10.3389/fonc.2023.1193746
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- Article
Computer-Assisted Drug Discovery of a Novel Theobromine Derivative as an EGFR Protein-Targeted Apoptosis Inducer.
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- Evolutionary Bioinformatics, 2023, p. 1, doi. 10.1177/11769343231217916
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- Article
Computer-Assisted Drug Discovery of a Novel Theobromine Derivative as an EGFR Protein-Targeted Apoptosis Inducer.
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- Evolutionary Bioinformatics, 2023, v. 19, p. 1, doi. 10.1177/11769343231217916
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- Article
New thieno[2,3‐d]pyrimidine derivatives as EGFR<sup>WT</sup> and EGFR<sup>T790M</sup> inhibitors: Design, synthesis, antiproliferative activities, docking studies, ADMET, toxicity, MD simulation studies.
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- Journal of Heterocyclic Chemistry, 2024, v. 61, n. 2, p. 285, doi. 10.1002/jhet.4757
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- Article
Combined Computational and Experimental Studies of Anabasine Encapsulation by Beta-Cyclodextrin.
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- Plants (2223-7747), 2022, v. 11, n. 17, p. 2283, doi. 10.3390/plants11172283
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Isolation and In Silico Inhibitory Potential against SARS-CoV-2 RNA Polymerase of the Rare Kaempferol 3- O -(6″- O -acetyl)-Glucoside from Calligonum tetrapterum.
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- Plants (2223-7747), 2022, v. 11, n. 15, p. 2072, doi. 10.3390/plants11152072
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- Article
The Computational Preventive Potential of the Rare Flavonoid, Patuletin, Isolated from Tagetes patula , against SARS-CoV-2.
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- Plants (2223-7747), 2022, v. 11, n. 14, p. N.PAG, doi. 10.3390/plants11141886
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Combined In Silico and Experimental Investigations of Resveratrol Encapsulation by Beta-Cyclodextrin.
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- Plants (2223-7747), 2022, v. 11, n. 13, p. 1678, doi. 10.3390/plants11131678
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- Article
Molecular Docking and Dynamic Simulation Revealed the Potential Inhibitory Activity of Opioid Compounds Targeting the Main Protease of SARS-CoV-2.
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- BioMed Research International, 2022, p. 1, doi. 10.1155/2022/1672031
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- Article
Biological Effect of Quercetin in Repairing Brain Damage and Cerebral Changes in Rats: Molecular Docking and In Vivo Studies.
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- BioMed Research International, 2022, p. 1, doi. 10.1155/2022/8962149
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- Article
Comprehensive Virtual Screening of the Antiviral Potentialities of Marine Polycyclic Guanidine Alkaloids against SARS-CoV-2 (COVID-19).
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- Biomolecules (2218-273X), 2021, v. 11, n. 3, p. 460, doi. 10.3390/biom11030460
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- Article
Isolation and In Silico Anti-COVID-19 Main Protease (M<sup>pro</sup>) Activities of Flavonoids and a Sesquiterpene Lactone from Artemisia sublessingiana.
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- Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/5547013
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- Article
Synthesis and Molecular Docking of Some Grossgemin Amino Derivatives as Tubulin Inhibitors Targeting Colchicine Binding Site.
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- Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/5586515
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- Article
In Vitro and In Silico Cytotoxic and Antibacterial Activities of a Diterpene from Cousinia alata Schrenk.
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- Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/5542455
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- Article
The Anticancer Effects of the Pro-Apoptotic Benzofuran-Isatin Conjugate (5a) Are Associated With p53 Upregulation and Enhancement of Conventional Chemotherapeutic Drug Efficiency in Colorectal Cancer Cell Lines.
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- Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.923398
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- Article
Mn 2+ Doped Cobalt Oxide and Its Composite with Carbon Nanotubes for Adsorption-Assisted Photocatalytic Applications.
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- Sustainability (2071-1050), 2022, v. 14, n. 24, p. 16932, doi. 10.3390/su142416932
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- Article
Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach.
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- PLoS ONE, 2023, v. 17, n. 3, p. 1, doi. 10.1371/journal.pone.0282586
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- Article
New [1,2,4]triazolo[4,3-c]quinazolines as intercalative Topo II inhibitors: Design, synthesis, biological evaluation, and in silico studies.
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- PLoS ONE, 2023, v. 17, n. 1, p. 1, doi. 10.1371/journal.pone.0274081
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- Article
Synthesis of novel biodegradable starch-PMA and Ag@starch-PMA polymer composite for boosting charge separation ability and superior photocatalytic performance.
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- Journal of Materials Science: Materials in Electronics, 2023, v. 34, n. 21, p. 1, doi. 10.1007/s10854-023-10997-4
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- Article
(E)- N -(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies.
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- Molecules, 2022, v. 27, n. 22, p. 7719, doi. 10.3390/molecules27227719
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- Article
Cation Incorporation and Synergistic Effects on the Characteristics of Sulfur-Doped Manganese Ferrites S@Mn(Fe 2 O 4) Nanoparticles for Boosted Sunlight-Driven Photocatalysis.
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- Molecules, 2022, v. 27, n. 22, p. 7677, doi. 10.3390/molecules27227677
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- Article
Magnetic, Electronic, and Optical Studies of Gd-Doped WO 3 : A First Principle Study.
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- Molecules, 2022, v. 27, n. 20, p. 6976, doi. 10.3390/molecules27206976
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- Article
Integration of Mn-ZnFe 2 O 4 with S-g-C 3 N 4 for Boosting Spatial Charge Generation and Separation as an Efficient Photocatalyst.
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- Molecules, 2022, v. 27, n. 20, p. 6925, doi. 10.3390/molecules27206925
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- Article
Simultaneous Quantification of Opioids in Blood and Urine by Gas Chromatography-Mass Spectrometer with Modified Dispersive Solid-Phase Extraction Technique.
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- Molecules, 2022, v. 27, n. 19, p. 6761, doi. 10.3390/molecules27196761
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- Article
New Triazinoindole Bearing Benzimidazole/Benzoxazole Hybrids Analogs as Potent Inhibitors of Urease: Synthesis, In Vitro Analysis and Molecular Docking Studies.
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- Molecules, 2022, v. 27, n. 19, p. 6580, doi. 10.3390/molecules27196580
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- Article
Synthesis of Novel Benzimidazole-Based Thiazole Derivatives as Multipotent Inhibitors of α-Amylase and α-Glucosidase: In Vitro Evaluation along with Molecular Docking Study.
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- Molecules, 2022, v. 27, n. 19, p. 6457, doi. 10.3390/molecules27196457
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- Article
Improvement in Optoelectronic Properties of Bismuth Sulphide Thin Films by Chromium Incorporation at the Orthorhombic Crystal Lattice for Photovoltaic Applications.
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- Molecules, 2022, v. 27, n. 19, p. 6419, doi. 10.3390/molecules27196419
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- Article
Fabrication of Cr-ZnFe 2 O 4 /S-g-C 3 N 4 Heterojunction Enriched Charge Separation for Sunlight Responsive Photocatalytic Performance and Antibacterial Study.
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- Molecules, 2022, v. 27, n. 19, p. 6330, doi. 10.3390/molecules27196330
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- Article
Discovery of New VEGFR-2 Inhibitors: Design, Synthesis, Anti-Proliferative Evaluation, Docking, and MD Simulation Studies.
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- Molecules, 2022, v. 27, n. 19, p. 6203, doi. 10.3390/molecules27196203
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- Article
New Anticancer Theobromine Derivative Targeting EGFR WT and EGFR T790M : Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies.
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- Molecules, 2022, v. 27, n. 18, p. 5859, doi. 10.3390/molecules27185859
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- Article
Improving the Thermal Behavior and Flame-Retardant Properties of Poly(o -anisidine)/MMT Nanocomposites Incorporated with Poly(o -anisidine) and Clay Nanofiller.
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- Molecules, 2022, v. 27, n. 17, p. 5477, doi. 10.3390/molecules27175477
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- Article
Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects.
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- Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144606
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- Article
The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies.
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- Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144530
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- Article
Design, Synthesis, In Silico and In Vitro Studies of New Immunomodulatory Anticancer Nicotinamide Derivatives Targeting VEGFR-2.
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- Molecules, 2022, v. 27, n. 13, p. 4079, doi. 10.3390/molecules27134079
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Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study.
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- Molecules, 2022, v. 27, n. 10, p. 3104, doi. 10.3390/molecules27103104
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- Article
External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes.
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- Molecules, 2022, v. 27, n. 9, p. 2963, doi. 10.3390/molecules27092963
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- Article
Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2′- o -Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs.
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- Molecules, 2022, v. 27, n. 7, p. 2287, doi. 10.3390/molecules27072287
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- Article
Isolation and In Silico SARS-CoV-2 Main Protease Inhibition Potential of Jusan Coumarin, a New Dicoumarin from Artemisia glauca.
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- Molecules, 2022, v. 27, n. 7, p. 2281, doi. 10.3390/molecules27072281
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- Article
Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease.
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- Molecules, 2022, v. 27, n. 5, p. 1636, doi. 10.3390/molecules27051636
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- Article
Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp.
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- Molecules, 2022, v. 27, n. 4, p. 1216, doi. 10.3390/molecules27041216
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- Article
Expression, Purification, and Comparative Inhibition of Helicobacter pylori Urease by Regio-Selectively Alkylated Benzimidazole 2-Thione Derivatives.
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- Molecules, 2022, v. 27, n. 3, p. 865, doi. 10.3390/molecules27030865
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- Article
Recent Advancements in the Development of Anti-Breast Cancer Synthetic Small Molecules.
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- Molecules, 2021, v. 26, n. 24, p. 7611, doi. 10.3390/molecules26247611
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- Article
In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies.
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- Molecules, 2021, v. 26, n. 21, p. 6593, doi. 10.3390/molecules26216593
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- Article
In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10.
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- Molecules, 2021, v. 26, n. 20, p. 6151, doi. 10.3390/molecules26206151
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- Article
Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization.
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- Molecules, 2021, v. 26, n. 12, p. 3772, doi. 10.3390/molecules26123772
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- Article