Top

Journal of Nanoparticle Research

Published in:

01-11-2020 | Research paper

First principle study of silver nanoparticle interactions with antimalarial drugs extracted from Artemisia annua plant

Authors: Mahmood Akbari, Razieh Morad, Malik Maaza

Published in: Journal of Nanoparticle Research | Issue 11/2020

Activate our intelligent search to find suitable subject content or patents.

search-config

AI-assisted search

Off

Abstract

Silver nanoparticles have a great potential in a broad range of applications such as drug-delivery carriers because of their antiviral and antibacterial properties. In this study, the coating properties of silver nanoparticle (size range of 1.6 nm) with three common anti-malarial drugs, Artemisinin, Artemether, and Artesunate have been studied by using the quantum mechanical and classical atomistic molecular dynamics simulation in order to use as the drug delivery to treat malaria and COVID-19 diseases. The optimized structure, frequencies, charge distribution, and the electrostatic potential maps of the three drug molecules were simulated by using the density functional theory (DFT) at the B3LYP/6-311++g(d,p) level of theory. Then, molecular dynamics simulation was used to study the coating of AgNP with each of these drugs. The affinity of interaction was obtained as Artesunate > Artemether > Artemisinin which is in agreement with the DFT results on the adsorption of drugs on the Ag(111) slab.

previous article Principles of convergence in nature and society and their application: from nanoscale, digits, and logic steps to global progress

next article Green synthesis of CuFeS2 nanoparticles using mimosa leaves extract for photocatalysis and supercapacitor applications

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

inform now

Abid Ali Khan MM, Jain DC, Bhakuni RS, Zaim M, Thakur RS (1991) Occurrence of some antiviral sterols in Artemisia annua. Plant Sci 75(2):161–165. https://doi.org/10.1016/0168-9452(91)90230-6CrossRef

Abraham MJ, Murtola T, Schulz R, Páll S, Smith JC, Hess B, Lindahl E (2015) “GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers,” SoftwareX 1–2:19–25

Abraham MJ, Murtola T, Schulz R, Páll S, Smith JC, Hess B, Lindahl E (2015) GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1(2):19–25CrossRef

Aderibigbe BA (2017) Metal-based nanoparticles for the treatment of infectious diseases. Molecules 22(8):1370. https://doi.org/10.3390/molecules22081370CrossRef

Alexander JW (2009) History of the medical use of silver. Surg Infect 10(3):289–292. https://doi.org/10.1089/sur.2008.9941CrossRef

Aliakbari Tehrani Z, Jamshidi Z, Jebeli Javan M, Fattahi A (2012) Interactions of glutathione tripeptide with gold cluster: influence of intramolecular hydrogen bond on complexation behavior. J Phys Chem A 116(17):4338–4347. https://doi.org/10.1021/jp2080226CrossRef

Antuek A, Urban M, Sadlej AJ (2003) Lone pair interactions with coinage metal atoms: weak Van der Waals complexes of the coinage metal atoms with water and ammonia. J Chem Phys 119(14):7247–7262. https://doi.org/10.1063/1.1605936CrossRef

Bazban-shotorbani S, Hasani-sadrabadi MM, Karkhaneh A, Serpooshan V (2015) Revisiting structure-property relationship of pH-responsive polymers for drug delivery applications. J Control Release 253:46–63. https://doi.org/10.1016/j.jconrel.2017.02.021CrossRef

Burdușel A-C, Gherasim O, Mihai Grumezescu A, Mogoantă L, Ficai A, Andronescu E (2018) Biomedical applications of silver nanoparticles: an up-to-date overview. Nanomaterials 8(9):681. https://doi.org/10.3390/nano8090681CrossRef

Choi O, Deng KK, Kim NJ, Ross L, Surampalli RY, Hu ZQ (2008) The inhibitory effects of silver nanoparticles, silver ions, and silver chloride colloids on microbial growth. Water Res 42:3066–3074. https://doi.org/10.1016/j.watres.2008.02.021CrossRef

Chowdhury NR, MacGregor-Ramiasa M, Zilm P, Majewski P, Vasilev K (2016) Chocolate silver nanoparticles: synthesis, antibacterial activity and cytotoxicity. J Colloid Interface Sci 482:151–158. https://doi.org/10.1016/j.jcis.2016.08.003CrossRef

Dalrymple DG (2013) Artemisia annua, artemisinin, ACTs & malaria control in Africa: tradition, science and public policy. Politics & Prose Bookstore, Washington DC

Duffy PE, Mutabingwa TK (2006) Artemisinin combination therapies. Lancet 367(9528):2037–2039. https://doi.org/10.1016/s0140-6736(06)68900-9CrossRef

Efferth T (2007) Schwabe Award 2006: antiplasmodial and antitumor activity of artemisinin—from bench to bedside. Planta Med 73(4):299–309. https://doi.org/10.1055/s-2007-967138CrossRef

Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG (1995) A smooth particle mesh Ewald method. J Chem Phys 103(19):8577–8593. https://doi.org/10.1063/1.470117CrossRef

Feng QL, Wu J, Chen GQ, Cui FZ, Kim TN, Kim JO (2000) A mechanistic study of the antibacterial effect of silver ions on Escherichia coli and Staphylococcus aureus. J Biomed Mater Res 52:662–668. https://doi.org/10.1002/1097-4636(20001215)52:4<662::aid-jbm10>3.0.co;2-3CrossRef

Ferreira JF, Luthria DL, Sasaki T, Heyerick A (2010) Flavonoids from Artemisia annua L. as antioxidants and their potential synergism with artemisinin against malaria and cancer. Molecules 15(5):3135–3170. https://doi.org/10.3390/molecules15053135CrossRef

Frisch MJ, Trucks GW, Schlegel HB et al (2009) Gaussian 09, Revision E.01, Gaussian, Inc., Wallingford CT

Galdiero S, Falanga A, Vitiello M, Cantisani M, Marra V, Galdiero M (2011) Silver nanoparticles as potential antiviral agents. Molecules 16(10):8894–8918. https://doi.org/10.3390/molecules16108894CrossRef

Geraldo DA, Needham P, Chandia N, Arratia-Perez R, Mora GC, Villagra NA (2016) Green synthesis of polysaccharides-based gold and silver nanoparticles and their promissory biological activity. Biointerface Res. Appl. Chem 6(3):1263–1271.http://repositorio.unab.cl/xmlui/handle/ria/1139

Giannozzi P, Baroni S, Bonini N, Calandra M et al (2009) QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J Phys Condens Matter 21(39):395502. https://doi.org/10.1088/0953-8984/21/39/395502CrossRef

Gilmore K, Osterrieder K, Seeberger PH (2020) Artemisia annua plant extracts are active against SARS-CoV-2 in vitro. In: Freie Universität Berlin. https://www.fu-berlin.de/en/presse/fup/fup/2020/fup_20_107-beifuss-corona/index.html. Accessed 24 June 2020

Granatier J, Urban M, Sadlej AJ (2007) Van der Waals complexes of Cu, Ag, and Au with hydrogen sulfide. The bonding character. J Phys Chem A 111(50):13238–13244. https://doi.org/10.1021/jp0757098CrossRef

Grimme S, Ehrlich S, Goerigk L (2011) Effect of the damping function in dispersion corrected density functional theory. J Comput Chem 32(7):1456–1465. https://doi.org/10.1002/jcc.21759CrossRef

Henke P, Kirakci K, Kubt P, Fraiberk M, Forstov J, Mosinger J (2016) Antibacterial, antiviral, and oxygen-sensing nanoparticles prepared from electrospun materials. ACS Appl Mater Interfaces 8(38):25127–25136. https://doi.org/10.1021/acsami.6b08234CrossRef

Hess B, Bekker H, Berendsen HJ, Fraaije JG (1997) LINCS: a linear constraint solver for molecular simulations. J Comput Chem 18(12):1463–1472. https://doi.org/10.1002/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-HCrossRef

Huang J, MacKerell AD Jr (2013) CHARMM36 all-atom additive protein force field: validation based on comparison to NMR data. J Comput Chem 34(25):2135–2145. https://doi.org/10.1002/jcc.23354CrossRef

Humphrey W, Dalke A, Chulten K (1996) VMD: visual molecular dynamics. J Mol Graph 14(1):33–38. https://doi.org/10.1016/0263-7855(96)00018-5CrossRef

Ivanova N, Gugleva V, Dobreva M, Pehlivanov I, Stefanov S, Andonova V (2018) Silver nanoparticles as multi-functional drug delivery systems. https://doi.org/10.5772/intechopen.80238

Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79:926–935. https://doi.org/10.1063/1.445869CrossRef

Kordzadeh A, Amjad-Iranagh S, Zarif M, Modarress H (2019) Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: a scrutinized study by using molecular dynamics simulation and quantum mechanics calculation. J Mol Graph Model 88:11–22. https://doi.org/10.1016/j.jmgm.2018.12.009CrossRef

Kyrychenko A, Pasko DA, Kalugin ON (2017) Poly (vinyl alcohol) as a water protecting agent for silver nanoparticles: the role of polymer size and structure. Phys Chem Chem Phys 19:8742–8756. https://doi.org/10.1039/C6CP05562ACrossRef

Mody VV, Siwale R, Singh A, Mody HR (2010) Introduction to metallic nanoparticles. J Pharm Bioallied Sci 2(4):282–289. https://doi.org/10.4103/0975-7406.72127CrossRef

Morris D, Ansar M, Speshock J, Ivanciuc T, Qu Y, Casola A, Garofalo R (2019) Antiviral and immunomodulatory activity of silver nanoparticles in experimental RSV infection. Viruses 11(8):732. https://doi.org/10.3390/v11080732CrossRef

Nedelcu I-A, Ficai A, Sonmez M, Ficai D, Oprea O, Andronescu E (2014) Silver based materials for biomedical applications. Curr Org Chem 18(2):173–184. https://doi.org/10.2174/13852728113176660141CrossRef

Pakiari AH, Jamshidi Z (2007) Interaction of amino acids with gold and silver clusters. J Phys Chem A 111(20):4391–4396. https://doi.org/10.1021/jp070306tCrossRef

Patra JK, Das G, Fraceto LF, Campos EVR, Rodriguez-Torres MP, Acosta-Torres LS, Diaz-Torres LA, Grillo R, Swamy MK, Sharma S, Habtemariam S, Shin HS (2018) Nano based drug delivery systems: recent developments and future prospects. J Nanobiotechnol 16(71):1–33. https://doi.org/10.1186/s12951-018-0392-8CrossRef

Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77(18):3865–3868. https://doi.org/10.1103/PhysRevLett.77.3865CrossRef

Petrovska BB (2012) Historical review of medicinal plants’ usage. Pharmacogn Rev 6(11):1–5. https://doi.org/10.4103/0973-7847.95849CrossRef

Prusty K, Swain SK (2018) Nano silver decorated polyacrylamide/dextran nanohydrogels hybrid composites for drug delivery applications. Mater Sci Eng C 85:130–141. https://doi.org/10.1016/j.msec.2017.11.028CrossRef

Rezaee P, Akbari M, Morad R, Koochaki A, Maaza M, Jamshidi Z (2020) First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticle as a potential candidate for treatment of SARS-CoV-2 (COVID-19), first principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticle as a potential candidate for treatment of SARS-CoV-2 (COVID-19). In arXiv, https://arxiv.org/abs/2006.02343. Submitted on 28 May 2020

Sambasivam A, Sangwai AV, Sureshkumar R (2016) Self-assembly of nanoparticle surfactant complexes with rodlike micelles: a molecular dynamics study. Langmuir 32(5):1214–1219. https://doi.org/10.1021/acs.langmuir.5b03689CrossRef

Sohraby F, Soltanabad MH, Bagheri M, Javan MB, Moghadam MJ, Baghkheirati EK, Bagherieh Najjar MB (2020) Application of molecular dynamics in coating Ag-conjugated nanoparticles with potential therapeutic applications. Nano Biomed Eng 12(1):90–98. https://doi.org/10.5101/nbe.v12i1.p90-98CrossRef

Stojanoski N (1999) Development of health culture in Veles and its region from the past to the end of the 20^th century. Veles Society of science and art:13–34

Suputtamongkol Y, Newton PN, Angus B, Teja-Isavadharm P, Keeratithakul D, Rasameesoraj M, Pukrittayakamee S, White NJ (2001) A comparison of oral artesunate and artemether antimalarial bioactivities in acute falciparum malaria. Br J Clin Pharmacol 52(6):655–661. https://doi.org/10.1046/j.1365-2125.2001.01458.xCrossRef

Tavaf Z, Tabatabaei M, Khalafi-Nezhad A, Panahi F (2017) Evaluation of antibacterial, antibofilm and antioxidant activities of synthesized silver nanoparticles (AgNPs) and casein peptide fragments against Streptococcus mutans. Eur. J. Integr. Med 12:163–171. https://doi.org/10.1016/j.eujim.2017.05.011

Ul Haq F, Roman M, Ahmad K, Ur Rahman S, Ali Shah SM, Suleman N, Ullah S, Ahmad I, Ullah W (2020) Artemisia annua: trials are needed for COVID-19. Phytother Res 34:1–2. https://doi.org/10.1002/ptr.6733CrossRef

Vanommeslaeghe K, MacKerell AD Jr (2012) Automation of the CHARMM general force field (CGenFF) I: bond perception and atom typing. J Chem Inf Model 52(12):3144–3154. https://doi.org/10.1021/ci300363cCrossRef

Villeret B, Dieu A, Straube M, Solhonne B, Miklavc P, Hamadi S, le Borgne R, Mailleux A, Norel X, Aerts J, Diallo D, Rouzet F, Dietl P, Sallenave JM, Garcia-Verdugo I (2018) Silver nanoparticles impair retinoic acid-inducible gene I-mediated mitochondrial antiviral immunity by blocking the autophagic flux in lung epithelial cells. ACS Nano 12(2):1188–1202. https://doi.org/10.1021/acsnano.7b06934CrossRef

Wang C, Xuan X, Yao W, Huang G, Jin J (2015) Anti-profibrotic effects of artesunate on bleomycin-induced pulmonary fibrosis in Sprague Dawley rats. Mol Med Rep 12(1):1291–1297. https://doi.org/10.3892/mmr.2015.3500CrossRef

White NJ (2008) Qinghaosu (artemisinin): the price of success. Science 320(5874):330–334CrossRef

Wong HN, Padín-Irizarry V, van der Watt ME, Reader J, Liebenberg W, Wiesner L, Smith P, Eribez K, Winzeler EA, Kyle DE, Birkholtz L-M, Coertzen D, Haynes RK (2020) Optimal 10-aminoartemisinins with potent transmission-blocking capabilities for new artemisinin combination therapies–activities against blood stage P. falciparum including PfKI3 C580Y mutants and liver stage P. berghei parasites. Front Chem 7:901. https://doi.org/10.3389/fchem.2019.00901CrossRef

Yousefpour A, Modarress H, Goharpey F, Amjad-Iranagh S (2018) Interaction of drugs amlodipine and paroxetine with the metabolizing enzyme CYP2B4: a molecular dynamics simulation study. J Mol Model 24(3):67. https://doi.org/10.1007/s00894-018-3617-8CrossRef

Title: First principle study of silver nanoparticle interactions with antimalarial drugs extracted from Artemisia annua plant
Authors: Mahmood Akbari
Razieh Morad
Malik Maaza
Publication date: 01-11-2020
Publisher: Springer Netherlands
Published in: Journal of Nanoparticle Research / Issue 11/2020
Print ISSN: 1388-0764
Electronic ISSN: 1572-896X
DOI: https://doi.org/10.1007/s11051-020-05058-4

Springer Professional

Abstract

Please log in to get access to your license.

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Other articles of this Issue 11/2020

Detection of energy transfer mechanisms in nanoscopic optical rulers

Controlled synthesis of gadolinium fluoride upconversion nanoparticles capped with oleic acid or polyethylene glycol molecules via one-step hydrothermal method and their toxicity to cancer cells

Light extinction and scattering from aggregates composed of submicron particles

A deep learning model and machine learning methods for the classification of potential coronavirus treatments on a single human cell

Noble metal-free MoS2-modified In2S3 for excellent visible-NIR-light-driven photocatalytic of Cr6+ removal in alkaline wastewater

Effect of silica nanoparticles on mechanical properties of self-cured acrylic resin

Premium Partners