Synthesis of New Organoselenium-Based Succinanilic and Maleanilic Derivatives and In Silico Studies as Possible SARS-CoV-2 Main Protease Inhibitors
出版年份 2023 全文链接
标题
Synthesis of New Organoselenium-Based Succinanilic and Maleanilic Derivatives and In Silico Studies as Possible SARS-CoV-2 Main Protease Inhibitors
作者
关键词
-
出版物
Inorganics
Volume 11, Issue 8, Pages 321
出版商
MDPI AG
发表日期
2023-07-31
DOI
10.3390/inorganics11080321
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Design, Synthesis, Spectroscopic Inspection, DFT and Molecular Docking Study of Metal Chelates Incorporating Azo Dye Ligand for Biological Evaluation
- (2023) Mohamed Ali Ibrahim Al-Gaber et al. Materials
- Design, Synthesis, and Biological Evaluation of Novel Hydroxamic Acid-Based Organoselenium Hybrids
- (2023) Jameelah S. Alotaibi et al. Pharmaceuticals
- Docking of COVID-19 main protease and TD-DFT/DMOl3 simulated method, synthesis, and characterization with hybrid nanocomposite thin films and its applications
- (2023) A.R. Ghazy et al. Surfaces and Interfaces
- Synthesis and in Silico Investigation of Organoselenium-Clubbed Schiff Bases as Potential Mpro Inhibitors for the SARS-CoV-2 Replication
- (2023) Saad Shaaban et al. Life-Basel
- Newly synthesized series of oxoindole–oxadiazole conjugates as potential anti-SARS-CoV-2 agents: in silico and in vitro studies
- (2022) Rana M. El-Masry et al. NEW JOURNAL OF CHEMISTRY
- Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studies
- (2022) Rogy R. Ezz Eldin et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations
- (2022) Madhur Babu Singh et al. JOURNAL OF THE INDIAN CHEMICAL SOCIETY
- A call for an independent inquiry into the origin of the SARS-CoV-2 virus
- (2022) Neil L. Harrison et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- In silico mutational analysis of ACE2 to check the susceptibility of lung cancer patients towards COVID-19
- (2022) Zumama Khalid et al. Scientific Reports
- One-Pot Multicomponent Polymerization, Metal-, and Non-Metal-Catalyzed Synthesis of Organoselenium Compounds
- (2022) Saad Shaaban et al. Polymers
- Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease
- (2022) Mohamed Elagawany et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- Novel Organoselenium Redox Modulators with Potential Anticancer, Antimicrobial, and Antioxidant Activities
- (2022) Marwa Sak et al. Antioxidants
- Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies
- (2022) Ayman Abo Elmaaty et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Ultrasound promoted synthesis of new azo fused dihydropyrano[2,3-c]pyrazole derivatives: In vitro antimicrobial, anticancer, DFT, in silico ADMET and Molecular docking studies.
- (2022) Nagarajan Nagasundaram et al. JOURNAL OF MOLECULAR STRUCTURE
- Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS-CoV-2 Delta (B.1.617.2) variant and the main protease (Mpro) as therapeutic candidates, using Molecular docking, DFT, and ADME/Tox studies
- (2022) Selma Houchi et al. JOURNAL OF MOLECULAR STRUCTURE
- Synthesis, DFT, Biological and Molecular Docking Analysis of Novel Manganese(II), Iron(III), Cobalt(II), Nickel(II), and Copper(II) Chelate Complexes Ligated by 1-(4-Nitrophenylazo)-2-naphthol
- (2022) Yousef A. A. Alghuwainem et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Organoselenocyanates Tethered Methyl Anthranilate Hybrids with Promising Anticancer, Antimicrobial, and Antioxidant Activities
- (2022) Batool Al-Abdallah et al. Inorganics
- Ni(II), Pd(II) and Pt(II) complexes with SNO-group thiosemicarbazone and DMSO: Synthesis, characterization, DFT, molecular docking and cytotoxicity
- (2022) Md. Azharul Arafath et al. JOURNAL OF MOLECULAR STRUCTURE
- Characterization the performances of twofold resveratrol integrated compounds in binding with SIRT1 by molecular dynamics simulation and molecular mechanics/generalized Born surface area (MM/GBSA) calculation
- (2021) Shanshan Shi et al. CHEMICAL PHYSICS
- Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2
- (2021) Ewelina Weglarz-Tomczak et al. Scientific Reports
- Selenium as a Bioactive Micronutrient in the Human Diet and Its Cancer Chemopreventive Activity
- (2021) Dominika Radomska et al. Nutrients
- Chemopreventive and Anticancer Property of Selenoproteins in Obese Breast Cancer
- (2021) Supriya Bevinakoppamath et al. Frontiers in Pharmacology
- Annulation of Enals with Carbamoylpropiolates via NHC-Catalyzed Enolate Pathway: Access to Functionalized Maleimides/Iso-maleimides and Synthesis of Aspergillus FH-X-213
- (2021) Amol B. Viveki et al. JOURNAL OF ORGANIC CHEMISTRY
- Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives
- (2021) Kangsa Amporndanai et al. Nature Communications
- The Mpro structure-based modifications of ebselen derivatives for improved antiviral activity against SARS-CoV-2 virus
- (2021) Zhen Qiao et al. BIOORGANIC CHEMISTRY
- l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
- (2021) Luca Sancineto et al. MOLECULES
- Synthesis and investigation of anti-COVID19 ability of ferrocene Schiff base derivatives by quantum chemical and molecular docking
- (2021) Ghulam Abbas et al. JOURNAL OF MOLECULAR STRUCTURE
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
- (2020) Zhenming Jin et al. NATURE
- Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur
- (2020) Zhenming Jin et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- Micronutrients Selenomethionine and Selenocysteine Modulate the Redox Status of MCF-7 Breast Cancer Cells
- (2020) Daniel Gabriel Pons et al. Nutrients
- Potential therapeutic use of ebselen for COVID-19 and other respiratory viral infections
- (2020) Helmut Sies et al. FREE RADICAL BIOLOGY AND MEDICINE
- Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease
- (2020) Cintia A. Menéndez et al. Science Advances
- Progress in Developing Inhibitors of SARS-CoV-2 3C-Like Protease
- (2020) Qingxin Li et al. Microorganisms
- Discovery of Potential Flavonoid Inhibitors Against COVID-19 3CL Proteinase Based on Virtual Screening Strategy
- (2020) Zhongren Xu et al. Frontiers in Molecular Biosciences
- Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis
- (2020) Ranjan K. Mohapatra et al. JOURNAL OF KING SAUD UNIVERSITY SCIENCE
- In silico ADME and Toxicity Prediction of Ceftazidime and Its Impurities
- (2019) Ying Han et al. Frontiers in Pharmacology
- Intestinal Permeability and Drug Absorption: Predictive Experimental, Computational and In Vivo Approaches
- (2019) David Dahlgren et al. Pharmaceutics
- The other view: the trace element selenium as a micronutrient in thyroid disease, diabetes, and beyond
- (2019) Lutz Schomburg Hormones-International Journal of Endocrinology and Metabolism
- Cytoprotective and antioxidant properties of organic selenides for the myelin-forming cells, oligodendrocytes
- (2018) Saad Shaaban et al. BIOORGANIC CHEMISTRY
- Bioconjugation with Maleimides: A useful Tool for Chemical Biology
- (2018) Pedro Miguel pimenta Gois et al. CHEMISTRY-A EUROPEAN JOURNAL
- Study of molecular structure, chemical reactivity and first hyperpolarizability of a newly synthesized N -(4-oxo-2-phenylquinazolin-3(4H)-yl)-1H-indole-2-carboxamide using spectral analysis
- (2017) Aniruddh Prasad Chaudhary et al. JOURNAL OF MOLECULAR STRUCTURE
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- DFT studies on the origin of regioselective ring-opening of terminal epoxides during copolymerization with CO2
- (2016) Chuang Liu et al. CHINESE JOURNAL OF POLYMER SCIENCE
- SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening
- (2016) Vincent Zoete et al. Journal of Chemical Information and Modeling
- Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents
- (2016) Reem I. Al-Wabli et al. JOURNAL OF MOLECULAR STRUCTURE
- Maleimide-bearing nanogels as novel mucoadhesive materials for drug delivery
- (2016) Prasopchai Tonglairoum et al. Journal of Materials Chemistry B
- A density functional theory insight into the structure and reactivity of diphenyltin(IV) derivative of glycylphenylalanine
- (2016) Sandeep Pokharia et al. MAIN GROUP METAL CHEMISTRY
- DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment
- (2015) Christoph Scholz et al. Journal of Chemical Information and Modeling
- pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
- (2015) Douglas E. V. Pires et al. JOURNAL OF MEDICINAL CHEMISTRY
- Methods of Selenium Supplementation: Bioavailability and Determination of Selenium Compounds
- (2015) Malgorzata Bodnar et al. CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
- Molecular structure, vibrational spectra and nonlinear optical properties of 2,5-dimethylanilinium chloride monohydrate: A density functional theory approach
- (2014) Sameh Guidara et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
- Pre-Antiretroviral Therapy Serum Selenium Concentrations Predict WHO Stages 3, 4 or Death but not Virologic Failure Post-Antiretroviral Therapy
- (2014) Rupak Shivakoti et al. Nutrients
- Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation
- (2013) Ulrich M. Zanger et al. PHARMACOLOGY & THERAPEUTICS
- Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
- (2012) Christopher A. Lipinski et al. ADVANCED DRUG DELIVERY REVIEWS
- Ethaselen: a potent mammalian thioredoxin reductase 1 inhibitor and novel organoselenium anticancer agent
- (2011) Lihui Wang et al. FREE RADICAL BIOLOGY AND MEDICINE
- Revisiting the General Solubility Equation: In Silico Prediction of Aqueous Solubility Incorporating the Effect of Topographical Polar Surface Area
- (2011) Jogoth Ali et al. Journal of Chemical Information and Modeling
- Bioactive conformation analysis of cyclic imides as protoporphyrinogen oxidase inhibitor by combining DFT calculations, QSAR and molecular dynamic simulations
- (2009) Li Zhang et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Multicomponent reactions for the synthesis of multifunctional agents with activity against cancer cells
- (2009) Saad Shabaan et al. CHEMICAL COMMUNICATIONS
- Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery
- (2008) Santiago Vilar et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started