Abraham DJ (2003) Burger’s medicinal chemistry and drug discovery, vol 5. Chemotherapeutic Agents
Adams RP (2012) Identification of essential oils components by gas chromatography/mass spectroscopy, 4th edn. Allured Business Media, Carol Stream
Google Scholar
Agnish S, Sharma AD, Kaur I (2021) Underutilized plant Cymbopogon pendulus derived essential oil is excellent source of bioactives with diverse biological activities. Rus Agric Sci (in press)
Alanio A, Dellière S, Fodil S, Bretagne S, Mégarbane B (2020) Prevalence of putative invasive pulmonary aspergillosis in critically ill patients with COVID-19. Lancet Respir Med 8:e48–e49
CAS
PubMed
Google Scholar
Banerjee K, Gupta U, Gupta S, Wadhwa G, Gabrani R, Sharma SK, Jain CK (2011) Molecular docking of glucosamine-6-phosphate synthase in Rhizopus oryzae. Bioinformation 7:285–290
PubMed
PubMed Central
Google Scholar
Banerjee P, Eckert AO, Schrey AK, Preissner R (2018) ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res 46(W1):W257–W263
CAS
PubMed
PubMed Central
Google Scholar
Barcellos MP, Santos CB, Federico LB, Almeida PF, da Silva CHTP, Taft CA (2019) Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors. J Biomol Struct Dyn 37:966–981
CAS
PubMed
Google Scholar
Biswal AR, Venkataraghavan R, Pazhamalai V, Romauld S (2019) Molecular docking of various bioactive compounds from essential oil of Trachyaspermum ammi against the fungal enzyme Candidapepsin-1. J Appl Pharma Sci 9:21–32. https://doi.org/10.7324/JAPS.2019.90503
Article
Google Scholar
Boukhatem MN, Ferhat MA, Kameli A, Saidi F, Kebir H (2013) Lemon grass (Cymbopogon citratus) essential oil as a potent anti-inflammatory and antifungal drugs. Libyan J Med 8:25431
Google Scholar
Chang CC, Senining R, Kim J, Goyal R (2020) An acute pulmonary coccidioidomycosis coinfection in a patient presenting with multifocal pneumonia with COVID-19. J Investig Med High Impact Case Rep 8:2324709620972244
PubMed
PubMed Central
Google Scholar
Chen X, Zhang Z, Chen Z, Li Y, Su S, Sun S (2020) Potential antifungal targets based on glucose metabolism pathways of Candida albicans. Front Microbiol. 296.
Chowdhary A, Tarai B, Singh A, Sharma A (2020) Multidrug-resistant Candida auris infections in critically ill coronavirus disease patients, India, April–July. Emerg Infect Dis 26:2694–2696
CAS
PubMed
PubMed Central
Google Scholar
Dar AM, Khan MA, Mir S, Gatoo MA (2016) DNA binding, cleavage activity, molecular docking, cytotoxicity and genotoxicity studies of newly synthesized copper based metal complexes. Pharm Anal Acta 7:464
Google Scholar
Dorfmueller HC, Ferenbach AT, Borodkin VS, van Aalten DMF (2014) A structural and biochemical model of processive chitin synthesis. J Biol Chem 289:23020–23028
CAS
PubMed
PubMed Central
Google Scholar
Elaissi A, Bel Haj Salah K, Mabrouk S, Chemli R, Harzallah-Skhiri F (2011) Antibacterial activity and chemical composition of 20 Eucalyptus species essential oils. Food Chem 129:1427–1434
CAS
Google Scholar
Ganjewala D (2009) Cymbopogon essential oils: compositions and bioactivities. Int J Eessent Oil Therapt 3:1–10
Google Scholar
Ganjewala D, Luthra R (2010) Essential oil biosynthesis and regulation in the genus Cymbopogon. Nat Product Commun 5:163–172
CAS
Google Scholar
Gao T, Zhou H, Zhou W, Hu L, Chen J, Shi Z (2016) The fungicidal activity of thymol against fusarium graminearum via inducing lipid peroxidation and disrupting ergosterol biosynthesis. Molecules 21(6):770
PubMed Central
Google Scholar
Geoghegan I, Steinberg G, Gurr S (2017) The role of the fungal cell wall in the infection of plants. Trends Microbiol 25:957–967
CAS
PubMed
Google Scholar
Gong Y, Li T, Yu C, Sun S (2017) Candida albicans heat shock proteins and Hsps-associated signaling pathways as potential antifungal targets. Front Cel Infec Microbio 7:520
Google Scholar
Han X, Zhu X, Hong Z, Wei L, Ren Y, Wan F, Zhu S, Peng H, Guo L, Rao L, Feng L, Wan J (2017) Structure-based rational design of novel inhibitors against fructose-1,6-bisphosphate aldolase from Candida albicans. J Chem Inf Model 57:1426–1438
CAS
PubMed
Google Scholar
Hanaa ARM, Sallam YI, El-Leithy AS, Aly SE (2012) Lemongrass (Cymbopogon citratus) essential oil as affected by drying methods. Ann Agric Sci 57:113–116
Google Scholar
Huang R, Xia M, Sakamuru S, Zhao J, Shahane SA, Attene-Ramos M, Zhao T, Austin CP, Simeonov A (2016) Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterization. Nat Commun 7:1–10
Google Scholar
John TM, Jacob CN, Kontoyiannis DP (2021) When uncontrolled diabetes mellitus and severe COVID-19 converge: the perfect storm for mucormycosis. J Fungi (basel) 15(7):298
Google Scholar
Khan T, Dixit S, Ahmad R, Raza S, Azad I, Joshi S, Khan AR (2017) Molecular docking, PASS analysis, bioactivity score prediction, synthesis, characterization and biological activity evaluation of a functionalized 2-butanone thiosemicarbazone ligand and its complexes. J Chem Biol 10:91–104
PubMed
PubMed Central
Google Scholar
Koehler P, Cornely OA, Böttiger BW, Dusse F, Eichenauer DA, Fuchs F (2020) COVID-19 associated pulmonary aspergillosis. Mycoses 63:528–534
CAS
PubMed
PubMed Central
Google Scholar
Konig J, Muller F (2013) Transporters and drug-drug interactions: important determinants of drug disposition and effects. Pharmacol Rev 65:944–966
PubMed
Google Scholar
Kortemme T, Morozov AV, Baker D (2003) An orientation-dependent hydrogen bonding potential improves prediction of specificity and structure for proteins and protein–protein complexes. J Mol Biol 326:1239–1259
CAS
PubMed
Google Scholar
Lai CC, Wang CY, Hsueh PR (2020) Co-infections among patients with COVID-19: the need for combination therapy with non-anti-SARS-CoV-2 agents? J Microbiol Immunol Infect 53:505–512
CAS
PubMed
PubMed Central
Google Scholar
Lea IA, Gong H, Paleja A, Rashid A, Fostel J (2017) CEBS: a comprehensive annotated database of toxicological data. Nucleic Acids Res 45:D964–D971
CAS
PubMed
Google Scholar
Lima SL, Colombo AL, de Almeida Junior JN (2019) Fungal cell wall: emerging antifungals and drug resistance. Front Microbiol 10:2573
PubMed
PubMed Central
Google Scholar
Mouilleron S, Badet-Denisot MA, Golinelli-Pimpaneau B (2008) Ordering of C-terminal loop and glutaminase domains of glucosamine-6-phosphate synthase promotes sugar ring opening and formation of the ammonia channel. J Mol Biol 377:1174–1185
CAS
PubMed
Google Scholar
Muniz M, Zurzolo C (2014) Sorting of GPI-anchored proteins from yeast to mammals–common pathways at different sites. J Cell Sci 127:2793–2801
CAS
PubMed
Google Scholar
Oladeji OS, Adelowo FE, Ayodele DT, Odelade KA (2019) Phytochemistry and pharmacological activities of Cymbopogon citratus: a review. Sci Afr 6:e00137
Google Scholar
Omar HS, Abd El-Rahman SN, AlGhannam SM, Sedeek MS (2021) Antifungal evaluation and molecular docking studies of Olea europaea leaf extract, Thymus vulgaris and Boswellia carteri essential oil as prospective fungal inhibitor candidates. Molecules 26:6118
CAS
PubMed
PubMed Central
Google Scholar
Ortiz MI, Gonzales-Garcia MP, Ponce-Monte HA (2010) Synergistic effect of the interaction between naproxen and Citral on inflammation in rats. Phytomedicine 18:74–79
CAS
PubMed
Google Scholar
Pihlasalo J, Klika KD, Murzin DY, Nieminen V (2007) Conformational equilibria of citral. J Mol Struct (theochem) 814:33–41
CAS
Google Scholar
Poignon C, Blaize M, Vezinet C, Lampros A, Monsel A, Fekkar A (2020) Invasive pulmonary fusariosis in an immunocompetent critically ill patient with severe COVID-19. Clin Microbiol Infect 26:1582–1584
CAS
PubMed
PubMed Central
Google Scholar
Rabagliati R, Rodríguez N, Núñez C, Huete A, Bravo S, Garcia P (2021) COVID-19-associated mold infection in critically Ill patients. Chile Emerg Infect Dis 27:1454–1456
CAS
PubMed
Google Scholar
Raies AB, Bajic VB (2016) In silico toxicology: computational methods for the prediction of chemical toxicity. Wiley Interdiscip Rev Comput Mol Sci 6:147–172
CAS
PubMed
PubMed Central
Google Scholar
Rao BRR, Adinarayana G, Rajput DK, Kumar AN, Syamasundar KV (2015) Essential oil profiles of different parts of East Indian lemongrass {Cymbopogon flexuosus (Nees ex Steud.) Wats.}. J of Essential Oil Res 27:225–231
Google Scholar
Sawitri WD, Afidah SN, Nakagawa A, Hase T, Sugiharto B (2018) Identification of UDP-glucose binding site in glycosyltransferase domain of sucrose phosphate synthase from sugarcane (Saccharum officinarum) by structure-based site-directed mutagenesis. Biophys Rev 10:293–298
CAS
PubMed
Google Scholar
Schweer KE, Bangard C, Hekmat K, Cornely OA (2014) Chronic pulmonary aspergillosis external icon. Mycoses 57:257–270
CAS
PubMed
Google Scholar
Shah G, Shri R, Panchal V, Sharma N, Singh B, Mann AS (2011) Scientific basis for the therapeutic use of Cymbopogon citratus, stapf (Lemon grass). J Adv Pharm Technol Res 2:3–8
CAS
PubMed
PubMed Central
Google Scholar
Singh P, Kumari K, Awasthi SK, Chandra R (2016a) Virtual screening and docking studies of synthesised chalcones: potent anti-malarial drug. Int J Drug Dev Res 8:49–56
CAS
Google Scholar
Siramshetty VB, Nickel J, Omieczynski C, Gohlke BO, Drwal MN (2016) Preissner R (2016) WITHDRAWN—a resource for withdrawn and discontinued drugs. Nucleic Acids Res 44:D1080–D1086
CAS
PubMed
Google Scholar
Srimai V, Ramesh M, Parameshwar KS, Parthasarathy T (2013) Computer-aided design of selective Cytochrome P450 inhibitors and docking studies of alkyl resorcinol derivatives. Med Chem Res 22:5314–5323
CAS
Google Scholar
Singh S, Fatima Z, Hameed S (2016b) Insights into the mode of action of anticandidal herbal monoterpenoid geraniol reveal disruption of multiple MDR mechanisms and virulence attributes in Candida albicans. Arch Microbiol 198(5):459–472
CAS
PubMed
Google Scholar
Tavares F, Costa G, Francisco V, Liberal J, Figueirinha A, Lopes MC, Cruz MC, Batista MT (2014) Cymbopogon citratus industrial waste as a potential source of bioactive compounds. J Sci Food 32:148–152
Google Scholar
Ventoulis I, Sarmourli T, Amoiridou P, Mantzana P, Exindari M, Gioula G (2020) Bloodstream infection by Saccharomyces cerevisiae in two COVID-19 patients after receiving supplementation of Saccharomyces in the ICU. J Fungi (basel) 6:98
CAS
Google Scholar
Wojciechowski M, Milewski S, Mazerski J, Borowski E (2005) Glucosamine-6-phosphate synthase, a novel target for antifungal agents. Molecular modelling studies in drug design. Acta Biochim Pol 52:647–653
CAS
PubMed
Google Scholar
Wu C, Liu Y, Yang Y, Zhang P, Zhong W, Wang Y, Wang Q et al (2020) Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods. Acta Pharm Sin B 10:766–788
CAS
PubMed
PubMed Central
Google Scholar
Zavrel M, White TC (2015) Medically important fungi respond to azole drugs: an update. Future Microbiol 10:1355–1373
CAS
PubMed
Google Scholar
Zeng S, Kapur A, Patankar MS, Xiong MP (2015) Formulation, characterization, and antitumor properties of trans- and cis-citral in the 4T1 breast cancer xenograft mouse model. Pharm Res 32(8):2548–2558
CAS
PubMed
PubMed Central
Google Scholar