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Recent Strategies to Improve the Photocatalytic Efficiency of TiO 2 for Enhanced Water Splitting to Produce Hydrogen.
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- Catalysts (2073-4344), 2024, v. 14, n. 10, p. 674, doi. 10.3390/catal14100674
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Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson's disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches.
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- Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1449165
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- Article
Pyridylpiperazine-based carbodithioates as urease inhibitors: synthesis and biological evaluation.
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- Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1423385
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- Article
A novel approach to assessing the antioxidant and anti-diabetic potential of synthesized calcium carbonate nanoparticles using various extracts of Ailanthus altissima.
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- Frontiers in Chemistry, 2024, p. 01, doi. 10.3389/fchem.2024.1345950
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- Article
Exploring theophylline-1,2,4-triazole tethered N-phenylacetamide derivatives as antimicrobial agents: unraveling mechanisms via structure-activity relationship, in vitro validation, and in silico insights.
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- Frontiers in Chemistry, 2024, p. 01, doi. 10.3389/fchem.2024.1372378
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- Article
Synthesis and biological evaluation of pyridylpiperazine hybrid derivatives as urease inhibitors.
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- Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1371377
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In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators.
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- Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1129997
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- Article
Parkia javanica Edible Pods Reveal Potential as an Anti-Diabetic Agent: UHPLC-QTOF-MS/MS-Based Chemical Profiling, In Silico, In Vitro, In Vivo, and Oxidative Stress Studies.
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- Pharmaceuticals (14248247), 2024, v. 17, n. 7, p. 968, doi. 10.3390/ph17070968
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- Article
Unveiling the Role of Nonionic Surfactants in Enhancing Cefotaxime Drug Solubility: A UV-Visible Spectroscopic Investigation in Single and Mixed Micellar Formulations.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 12, p. 1663, doi. 10.3390/ph16121663
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In Silico Development of Novel Benzofuran-1,3,4-Oxadiazoles as Lead Inhibitors of M. tuberculosis Polyketide Synthase 13.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 6, p. 829, doi. 10.3390/ph16060829
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Structure-Based Virtual Screening of Furan-1,3,4-Oxadiazole Tethered N -phenylacetamide Derivatives as Novel Class of hTYR and hTYRP1 Inhibitors.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 3, p. 344, doi. 10.3390/ph16030344
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- Article
In Vitro/In Vivo Evaluation of Clomipramine Orodispersible Tablets for the Treatment of Depression and Obsessive-Compulsive Disorder.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 2, p. 265, doi. 10.3390/ph16020265
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- Article
Cyclooxygenase-2 (COX-2) as a Target of Anticancer Agents: A Review of Novel Synthesized Scaffolds Having Anticancer and COX-2 Inhibitory Potentialities.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 12, p. 1471, doi. 10.3390/ph15121471
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The Synthesis, Antimicrobial Activity, and Molecular Docking of New 1, 2, 4-Triazole, 1, 2, 4-Triazepine, Quinoline, and Pyrimidine Scaffolds Condensed to Naturally Occurring Furochromones.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 10, p. 1232, doi. 10.3390/ph15101232
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Synthesis and Evaluation of Some New 4 H -Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic and ADME Investigations.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 7, p. N.PAG, doi. 10.3390/ph15070891
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Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 6, p. 745, doi. 10.3390/ph15060745
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- Article
Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 3, p. 303, doi. 10.3390/ph15030303
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- Article
Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 4, p. 357, doi. 10.3390/ph14040357
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Synthetic Potential of Regio- and Stereoselective Ring Expansion Reactions of Six-Membered Carbo- and Heterocyclic Ring Systems: A Review.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6692, doi. 10.3390/ijms24076692
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- Article
BTEAC Catalyzed Ultrasonic-Assisted Synthesis of Bromobenzofuran-Oxadiazoles: Unravelling Anti-HepG-2 Cancer Therapeutic Potential through In Vitro and In Silico Studies.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 3008, doi. 10.3390/ijms24033008
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- Article
Pharmacophore Synergism in Diverse Scaffold Clinches in Aurora Kinase B.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 23, p. 14527, doi. 10.3390/ijms232314527
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- Article
Mechanistic and Predictive QSAR Analysis of Diverse Molecules to Capture Salient and Hidden Pharmacophores for Anti-Thrombotic Activity.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 15, p. 8352, doi. 10.3390/ijms22158352
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- Article
Functionalization of Magnetite Nanoparticles as Oil Spill Collector.
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- International Journal of Molecular Sciences, 2015, v. 16, n. 4, p. 6911, doi. 10.3390/ijms16046911
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- Article
Synthesis of Environmentally Friendly Highly Dispersed Magnetite Nanoparticles Based on Rosin Cationic Surfactants as Thin Film Coatings of Steel.
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- International Journal of Molecular Sciences, 2014, v. 15, n. 4, p. 6974, doi. 10.3390/ijms15046974
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- Article
Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder.
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- PLoS ONE, 2024, v. 19, n. 1, p. 1, doi. 10.1371/journal.pone.0286848
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- Article
Indeno[1,2‐b]pyridin‐5‐one derivatives containing azo groups and their hydrazonal precursors: Synthesis, antimicrobial profile, DNA gyrase binding affinity, and molecular docking.
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- Journal of Heterocyclic Chemistry, 2024, v. 61, n. 2, p. 217, doi. 10.1002/jhet.4759
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- Article
Synthesis of antimicrobial azoloazines and molecular docking for inhibiting COVID‐19.
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- Journal of Heterocyclic Chemistry, 2021, v. 58, n. 6, p. 1286, doi. 10.1002/jhet.4257
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- Article
Fluorinated hydrazonoyl chlorides as precursors for synthesis of antimicrobial azoles.
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- Journal of Heterocyclic Chemistry, 2021, v. 58, n. 2, p. 589, doi. 10.1002/jhet.4198
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- Article
Evaluating the Phytoremediation Potential of Eichhornia crassipes for the Removal of Cr and Li from Synthetic Polluted Water.
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- International Journal of Environmental Research & Public Health, 2023, v. 20, n. 4, p. 3512, doi. 10.3390/ijerph20043512
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- Article
Antiretroviral resistance in HIV-infected Saudi children failing first-line highly active antiretroviral therapy.
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- Annals of Saudi Medicine, 2012, v. 32, n. 6, p. 565, doi. 10.5144/0256-4947.2012.565
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Green synthesis of graphene oxide and magnetite nanoparticles and their arsenic removal efficiency from arsenic contaminated soil.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-73734-9
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- Article
Removal of oxytetracycline from pharmaceutical wastewater using kappa carrageenan hydrogel.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-69989-x
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- Article
An Insight into Carbon Nanomaterial-Based Photocatalytic Water Splitting for Green Hydrogen Production.
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- Catalysts (2073-4344), 2023, v. 13, n. 1, p. 66, doi. 10.3390/catal13010066
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- Article
Green Chemistry in Organic Synthesis: Recent Update on Green Catalytic Approaches in Synthesis of 1,2,4-Thiadiazoles.
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- Catalysts (2073-4344), 2022, v. 12, n. 11, p. 1329, doi. 10.3390/catal12111329
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- Article
Target specific inhibition of West Nile virus envelope glycoprotein and methyltransferase using phytocompounds: an in silico strategy leveraging molecular docking and dynamics simulation .
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- Frontiers in Microbiology, 2023, p. 1, doi. 10.3389/fmicb.2023.1189786
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- Article
Nano-functionalization and evaluation of antimicrobial activity of Tinospora cordifolia against the TolB protein of Pseudomonas aeruginosa – An antibacterial and computational study.
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- Frontiers in Microbiology, 2023, v. 14, p. 1, doi. 10.3389/fmicb.2023.1138106
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- Article
Two-Dimensional Hydrogen-Bonded Crystal Structure, Hirshfeld Surface Analysis and Morphology Prediction of a New Polymorph of 1H-Nicotineamidium Chloride Salt.
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- Crystals (2073-4352), 2019, v. 9, n. 11, p. 571, doi. 10.3390/cryst9110571
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- Article
Fabrication of Composites of Sodium Alginate with Guar Gum and Iron Coated Activated Alumina for the Purification of Water from Direct Blue 86.
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- Coatings (2079-6412), 2023, v. 13, n. 1, p. 103, doi. 10.3390/coatings13010103
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- Article
Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease.
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- Frontiers in Aging Neuroscience, 2022, v. 14, p. 1, doi. 10.3389/fnagi.2022.878276
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- Article
One-Pot Microwave Synthesis of Pyrimido[4,5-b]quinoline and its C- and S-Glycosides with Anti-Inflammatory and Anticancer Activities.
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- Croatica Chemica Acta, 2016, v. 89, n. 3, p. 285, doi. 10.5562/cca2912
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- Article
A Comprehensive Update of Various Attempts by Medicinal Chemists to Combat COVID-19 through Natural Products.
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- Molecules, 2023, v. 28, n. 12, p. 4860, doi. 10.3390/molecules28124860
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- Article
Synthesis, In Vitro Evaluation and Molecular Docking Studies of Novel Thiophenyl Thiazolyl-Pyridine Hybrids as Potential Anticancer Agents.
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- Molecules, 2023, v. 28, n. 11, p. 4270, doi. 10.3390/molecules28114270
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- Article
Theoretical and Anti- Klebsiella pneumoniae Evaluations of Substituted 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide and Imidazopyridine Hydrazide Derivatives.
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- Molecules, 2023, v. 28, n. 6, p. 2801, doi. 10.3390/molecules28062801
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- Article
Highly Selective Methodology for Entrapment and Subsequent Removal of Cobalt (II) Ions under Optimized Conditions by Micellar-Enhanced Ultrafiltration.
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- Molecules, 2022, v. 27, n. 23, p. 8332, doi. 10.3390/molecules27238332
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- Article
Development of Ion Character Property Relationship (IC-PR) for Removal of 13-Metal Ions by Employing a Novel Green Adsorbent Aerva javanica.
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- Molecules, 2022, v. 27, n. 23, p. 8213, doi. 10.3390/molecules27238213
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- Article
Synthesis of Novel N -Methylmorpholine-Substituted Benzimidazolium Salts as Potential α-Glucosidase Inhibitors.
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- Molecules, 2022, v. 27, n. 18, p. 6012, doi. 10.3390/molecules27186012
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QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
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- Molecules, 2022, v. 27, n. 15, p. 4951, doi. 10.3390/molecules27154951
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QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA.
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- Molecules, 2022, v. 27, n. 15, p. 4758, doi. 10.3390/molecules27154758
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- Article
Design, Synthesis of New 1,2,4-Triazole/1,3,4-Thiadiazole with Spiroindoline, Imidazo[4,5-b]quinoxaline and Thieno[2,3-d]pyrimidine from Isatin Derivatives as Anticancer Agents.
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- Molecules, 2022, v. 27, n. 3, p. 835, doi. 10.3390/molecules27030835
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- Article
Material matters: exploring the interplay between natural biomaterials and host immune system.
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- Frontiers in Immunology, 2023, p. 1, doi. 10.3389/fimmu.2023.1269960
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- Article