Macromolecules: Synthesis, antimicrobial, POM analysis and computational approaches of some glucoside derivatives bearing acyl moieties
Tài liệu tham khảo
Afza, 2023, A convergent multicomponent synthesis, spectral analysis, molecular modeling and docking studies of novel 2H-pyrido[1,2-a]pyrimidine-2,4(3H)-dione derivatives as potential anti-cervical cancer agents, J. Mol. Struct., 134982, 10.1016/j.molstruc.2023.134982
Ahmad, 2017, Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from acinetobacter Baumannii, J. Mol. Graph. Model., 77, 72, 10.1016/j.jmgm.2017.07.024
Ahmad, 2020, Study of Caspase 8 inhibition for the management of Alzheimer’s disease: a molecular docking and dynamics simulation, Molecules, 25, 2071, 10.3390/molecules25092071
Almehmadi, 2023, Computational studies and antimicrobial activity of 1-(benzo[d]oxazol-2-yl)-3,5-diphenylformazan derivatives, Curr. Comput. Aided Drug Des.
Banerjee, 2018, ProTox-II: a webserver for the prediction of toxicity of chemicals, Nucl. Acid Res., 46, W257, 10.1093/nar/gky318
Bauer, 1966, Antibiotic susceptibility testing by a standardized single disk method, Am. J. Clin. Pathol., 45, 493, 10.1093/ajcp/45.4_ts.493
Bechlem, 2010, Synthesis, X-ray crystallographic study and molecular docking of new a-sulfamidophosphonates: POM analyses of their cytotoxic activity, J. Mol. Struct., 1210
Berredjem, 2020, Antitumor activity, X- Ray crystallography, in silico study of some-sulfamido-phosphonates. Identification of pharmacophore sites, J. Mol. Struct., 1250
Bertozzi, 2001, Chemical glycobiology, Science, 291, 2357, 10.1126/science.1059820
Bhat, 2021, Synthesis, biological activity and POM/DFT/docking analyses of annulated Pyrano[2,3-d]pyrimidine derivatives: Identification of antibacterial and antitumor pharmacophore sites, Bioorg. Chem., 106, 10.1016/j.bioorg.2020.104480
Bulbul, 2021, Synthesis of new series of pyrimidine nucleoside derivatives bearing the acyl moieties as potential antimicrobial agents, Pharmacia, 68, 23, 10.3897/pharmacia.68.e56543
Chen, 2006, Cell type-specific roles of carbohydrates in tumor metastasis, Meth. Enzymol., 416, 371, 10.1016/S0076-6879(06)16024-3
Clinical Laboratory Standards Institute (CLSI), 2012
Daina, 2017, SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules, Sci. Rep., 7, 42717, 10.1038/srep42717
Farhana, 2021, Bromobenzoylation of methyl α-D-mannopyranoside: Synthesis and spectral characterization, J. Sib. Fed. Univ. Chem., 14, 171
Farhana, 2021, Monosaccharide derivatives: Synthesis, antimicrobial, PASS, antiviral, and molecular docking studies against SARS-CoV-2 Mpro inhibitors, J. Cellul. Chem. Technol., 55, 477, 10.35812/CelluloseChemTechnol.2021.55.44
Grib, 2020, Novel N-sulfonylphthalimides: Efficient synthesis, X-ray characterization, spectral investigations, POM analyses, DFT computations and antibacterial activity, J. Mol. Struct., 1217, 12842, 10.1016/j.molstruc.2020.128423
Grover, 1962, In-vitro efficacy of certain essential oils and plant extracts against three major pathogens of Jatropha curcas L, Phytopathology, 52, 876
Hadda, 2013, Molecular drug design, synthesis and pharmacophore site identification of spiroheterocyclic compounds: Trypanosoma crusi inhibiting studies, Med. Chem. Res., 22, 57, 10.1007/s00044-012-0010-5
Hadda, 2013, Tautomeric origin of dual effects of N1-nicotinoyl-3-(4’-hydroxy-3’-methyl phenyl)-5-[(sub)phenyl]-2-pyrazolines on bacterial and viral strains: POM analyses as new efficient bioinformatics' platform to predict and optimize bioactivity of drugs, Med. Chem. Res., 22, 1438, 10.1007/s00044-012-0143-6
Hadda, 2019, Drug design of inhibitors of Alzheimer’s disease (AD): POM and DFT analyses of cholinesterase inhibitory activity of β-amino di-carbonyl derivatives, Mini Rev. Med. Chem., 19, 688, 10.2174/1389557518666181102102816
Hadda, 2020, Spiro heterocyclic compounds as potential anti-Alzheimer agents (Part 2): their metal chelation capacity, POM analyses and DFT studies, Med. Chem., 16, 1
Hadda, 2021, Spiro heterocyclic compounds as potential anti-alzheimer agents (Part 2): Their metal chelation capacity, POM analyses and DFT studies, Med. Chem., 17, 834, 10.2174/1573406416666200610185654
Hasan, 2022, Novel thiophene chalcones-coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulation, Bioorg. Chem., 119, 10.1016/j.bioorg.2021.105572
Hosen, 2022, Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sites, Bioorg. Chem., 125
Ingólfsson, 2011, Alcohol’s effects on lipid bilayer properties, Biophys. J., 101, 847, 10.1016/j.bpj.2011.07.013
Islam, 2022, Synthesis, antimicrobial, anticancer activities, PASS prediction, molecular docking, molecular dynamics and pharmacokinetic studies of designed methyl α-D-glucopyranoside esters, J. Mol. Struct., 1260, 10.1016/j.molstruc.2022.132761
Jordheim, 2012, Gemcitabine is active against clinical multiresistant Staphylococcus aureus Strains and is Synergistic with Gentamicin, Int. J. Antimicrob. Agents, 39, 444, 10.1016/j.ijantimicag.2012.01.019
Joshi, 2023, Computational investigation of geniposidic acid as an anticancer agent using molecular docking, molecular dynamic simulation, DFT calculation, and OSIRIS-Molinspiration profiling, Phys. Chem. Res., 11, 801
Judge, 2013, Synthesis, antimycobacterial, antiviral, antimicrobial activity and QSAR studies of N(2)-acyl isonicotinic acid hydrazide derivatives, Med. Chem., 9, 53, 10.2174/157340613804488404
Kabir, 2004, Biological evaluation of some mannopyranoside derivatives, Bull. Pure Appl. Sci., 23, 83
Kabir, 2008, Biological evaluation of some octanoyl derivatives of methyl 4,6-O-cyclohexylidene-α-D-glucopyranoside, Chittagong Univ. J Biol. Sci., 3, 53
Kabir, 2009, Antimicrobial screening studies of some derivatives of methyl α-D-glucopyranoside, Pak. J. Sci. Ind. Res., 52, 138
Kawsar, 2008, Cytotoxicity assessment of the aerial parts of Macrotyloma uniflorum Linn, Int. J. Pharmacol., 4, 297, 10.3923/ijp.2008.297.300
Kawsar, 2021, Computational investigation of methyl α-D-glucopyranoside derivatives as inhibitor against bacteria, fungi and COVID-19 (SARS-2), J. Chil. Chem. Soc., 66, 5206, 10.4067/S0717-97072021000205206
Kawsar, 2011, Cytotoxicity and glycan-binding profile of α-D-galactose-binding lectin from the eggs of a Japanese sea hare (Aplysia kurodai), Protein J., 30, 509, 10.1007/s10930-011-9356-7
Kawsar, 2022, Chemical descriptors, PASS, molecular docking, molecular dynamics and ADMET predictions of glucopyranoside derivatives as inhibitors to bacteria and fungi growth, Org. Commun., 15, 184, 10.25135/acg.oc.122.2203.2397
Konze, 2019, Reaction-based enumeration, active learning, and free energy calculations to rapidly explore synthetically tractable chemical space and optimize potency of cyclin-dependent kinase 2 inhibitors, J. Chem. Inform. Model., 59, 3782, 10.1021/acs.jcim.9b00367
Kuzmanic, 2010, Determination of ensemble-average pairwise root mean-square deviation from experimental B-factors, Biophys. J., 98, 861, 10.1016/j.bpj.2009.11.011
Li, 2010, Antibacterial activity and mechanism of silver nanoparticles on Escherichia coli, Appl. Microbiol. Biotechnol., 85, 1115, 10.1007/s00253-009-2159-5
Mabkhot, 2014, Substituted thieno[2,3-b]thiophenes and related congeners: Synthesis, <beta>-Glucuronidase inhibition activity, crystal structure, and POM analyses, Bioorg. Med. Chem., 22, 6715, 10.1016/j.bmc.2014.08.014
Mahmud, 2021, Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study, Arab. J. Chem., 14, 10.1016/j.arabjc.2021.103315
Mahmud, 2021, Plant-based phytochemical screening by targeting main protease of sars-cov-2 to design effective potent inhibitors, Biology, 10, 589, 10.3390/biology10070589
Maowa, 2021, Pharmacokinetics and molecular docking studies of uridine derivatives as SARS-CoV-2 Mpro inhibitors, Phys. Chem. Res., 9, 385
Maowa, 2021, Synthesis, characterization, synergistic antimicrobial properties and molecular docking of sugar modified uridine derivatives, Ovidius Univ. Ann. Chem., 32, 6, 10.2478/auoc-2021-0002
McLaughlin, 1991, Crown-gall tumors in potato discs and brine shrimp lethality: Two simple bioassays for higher plant screening and fractionation, 1
Misbah, 2020, Evaluation of MIC, MBC, MFC and anticancer activities of acylated methyl β-D-galactopyranoside esters, Int. J. Biosci., 16, 299
Opoku, 2019, Evaluating iso-mukaadial acetate and ursolic acid acetate as plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase inhibitors, Biomolecules, 9, 861, 10.3390/biom9120861
Ouassaf, 2022, Combined pharmacophore modeling, 3D-QSAR, molecular docking and molecular dynamics study on indolyl-aryl-sulfone derivatives as new HIV1 inhibitors, Acta Chim. Slov., 69, 489, 10.17344/acsi.2022.7427
Rachedi, 2019, Synthesis, DFT and POM analyses of cytotoxicity activity of α-amidophosphonates derivatives: Identification of potential antiviral O, O-pharmacophore site, J. Mol. Struct., 1197, 196, 10.1016/j.molstruc.2019.07.053
Raies, 2016, In silico toxicology: Computational methods for the prediction of chemical toxicity, Wiley Interdis. Rev.: Comput. Mol. Sci., 6, 147
Rana, 2021, In silico DFT study, molecular docking, and ADMET predictions of cytidine analogs with antimicrobial and anticancer properties, In Silico Pharmacol., 9, 1, 10.1007/s40203-021-00102-0
Saha, 2010, Molecular docking studies of some novel hydroxamic acid derivatives, Int. J. Chem. Tech. Res., 2, 932
Saha, 2021, Indazole derivatives effective against gastrointestinal diseases, Curr. Topics Med. Chem., 22, 1189, 10.2174/1568026621666211209155933
Seeberger, 2007, Synthesis and medical applications of oligosaccharides, Nature, 446, 1046, 10.1038/nature05819
Shagir, 2016, Simple and rapid synthesis of some nucleoside derivatives: Structural and spectral characterization, Curr. Chem. Lett., 5, 83
Sheikh, 2013, Antibacterial, antifungal and antioxidant activity of some new water-soluble b-diketones, Med. Chem. Res., 22, 964, 10.1007/s00044-012-0089-8
Singh, 2017, Computational evaluation of glutamine synthetase as drug target against infectious diseases: molecular modeling, substrate-binding analysis, and molecular dynamics simulation studies, Med. Chem. Res., 26, 450, 10.1007/s00044-016-1766-9
Varki, 1993, Biological roles of oligosaccharides: All of the theories are correct, Glycobiology, 3, 97, 10.1093/glycob/3.2.97
Walsh, 2019, Antimicrobial activity of naturally occurring phenols and derivatives against biofilm and planktonic bacteria, Front. Chem., 7, 653, 10.3389/fchem.2019.00653
Waring, 2002, 2,3-Bifunctionalized quinoxalines: Synthesis, DNA interactions and evaluation of anticancer, antituberculosis and antifungal activity, Molecules, 7, 641, 10.3390/70800641
Zhang, 2011, Molecular docking, 3D-QSAR Studies, and in silico ADME prediction of p-aminosalicylic acid derivatives as neuraminidase inhibitors, Chem. Biol. Drug Design, 78, 709, 10.1111/j.1747-0285.2011.01179.x
Zhou, 2020, Structure–activity relationship of cationic surfactants as antimicrobial agents, Curr. Opin. Colloid Interface, 45, 28, 10.1016/j.cocis.2019.11.009