Research Journal of Pharmacy and Technology

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In-silico Analysis of Endophytic Fungal Metabolites against Secreted Aspartic Proteinase Enzyme of Candida albicans


Affiliations
1 Department of Bio-Engineering, School of Engineering, Vels Institute of Science, Technology and Advanced Studies (VISTAS), Chennai-600117, Tamilnadu, India
     

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The human microbiome includes various microorganisms where Candida albicans is also called as one of the member and it becomes infectious under conditions of immune dysfunctions which contribute to oral diseases such as oral candidiasis, caries and periodontal diseases. Secreted Aspartic proteinases (SAPs), a key virulence factor of Candida albicans have been established as a potential drug target in treating Candida infections. The present work focuses on the bio-active metabolites produced from endophytic fungi which were isolated from various medicinal plants with oral hygiene properties. About 6 varieties of plants were chosen which includes plants like Mentha, Curcuma longa, Azadirachta indica, Aleo barbadensis etc,. were found to have more oral medicinal properties. Endophytic fungi from those plants include Ascomycetous, Trichoderma harzianum, Fusarium avenaceum, Talaromyces sp., Chaetomium sp., Epicoccum sorghinum, etc,. In this study, in silico analysis of these 20 compounds such as koningnin, griseofulvin, viridin, piliformic acid etc., which were isolated from those endophytic fungi were performed. The compounds which passed Lipinski rule were docked against SAP 5 enzyme using Auto Dock 4.2.6 software. Most of the endophytic fungal compounds shows good Docking score among that viridin and TR-2 mycotoxin showed good docking score with highest binding energy -9.23 kCal/mol and -8.38 kCal/mol respectively against SAP 5 enzyme. Thus, these compounds could be effectively used as drugs targeting SAP 5 enzymes in treating Candida infections.

Keywords

Candida albicans, Secreted Aspartic proteinase 5 (SAP 5), Endophytic Fungi, Docking.
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  • Mishra Y, Singh A, Batra A, Sharma MM. Understanding the biodiversity and biological applications of endophytic fungi: a review. J. Microbiol. Biochem. Technol. S. 2014;8.

  • Jia M, Chen L, Xin HL, Zheng CJ, Rahman K, Han T, Qin LP. A friendly relationship between endophytic fungi and medicinal plants: a systematic review. Frontiers in microbiology. 2016 Jun 9;7:906.

  • Kandasamy S, Sahu SK, Kandasamy K. In Silico studies on fungal metabolite against skin cancer protein (4, 5-Diarylisoxazole HSP90 Chaperone). ISRN dermatology. 2012 Sep 6;2012.

  • Padhi L, Mohanta YK, Panda SK. Endophytic fungi with great promises: A review. Journal of Advanced Pharmacy Education & Research. 2013;3(3).

  • Dharani RS, Ranjitha R, Sripathi R, Muhammad KS, Ravi S. Docking studies in target proteins involved in antibacterial action mechanisms: Alkaloids isolated from Scutellaria genus. Asian J Pharm Clin Res. 2016;9(5):121-5.

  • Alves M, Froufe H, Costa A, Santos A, Oliveira L, Osório S, Abreu R, Pintado M, Ferreira I. Docking studies in target proteins involved in antibacterial action mechanisms: Extending the knowledge on standard antibiotics to antimicrobial mushroom compounds. Molecules. 2014;19(2):1672-84.

  • Bairwa R, Gupta P, Gupta VK, Srivastava B. Traditional medicinal plants: use in oral hygiene. Int J Pharm Chem Sci. 2012;1(4):1529-38.

  • Campos FF, Junior S, Policarpo A, Romanha AJ, Araújo MS, Siqueira EP, Resende JM, Alves T, Martins-Filho OA, Santos VL, Rosa CA. Bioactive endophytic fungi isolated from Caesalpinia echinata Lam.(Brazilwood) and identification of beauvericin as a trypanocidal metabolite from Fusarium sp. Memórias do Instituto Oswaldo Cruz. 2015 Feb;110(1):65-74.

  • Joseph B, Priya RM. Bioactive Compounds from Endophytes and their Potential in. American journal of biochemistry and molecular biology. 2011;1(3):291-309.

  • Li C, Sarotti A, Yang B, Turkson J, Cao S. A new N-methoxypyridone from the co-cultivation of Hawaiian endophytic fungi Camporesia sambuci FT1061 and Epicoccum sorghinum FT1062. Molecules. 2017;22(7):1166.

  • Yadav R, Singh AV, Joshi S, Kumar M. Antifungal and enzyme activity of endophytic fungi isolated from Ocimum sanctum and Aloe vera. African Journal of Microbiology Research. 2015 Jul 22;9(29):1783-8.

  • Guarro J, Gams W, Pujol I, Gene J. Acremonium species: new emerging fungal opportunists—in vitro antifungal susceptibilities and review. Clinical Infectious Diseases. 1997 Nov 1;25(5):1222-9.

  • Cota BB, Tunes LG, Maia DN, Ramos JP, Oliveira DM, Kohlhoff M, Alves TM, Souza-Fagundes EM, Campos FF, Zani CL. Leishmanicidal compounds of Nectria pseudotrichia, an endophytic fungus isolated from the plant Caesalpinia echinata (Brazilwood). Memórias do Instituto Oswaldo Cruz. 2018 Feb;113(2):102-10

  • Amirita A, Sindhu P, Swetha J, Vasanthi NS, Kannan KP. Enumeration of endophytic fungi from medicinal plants and screening of extracellular enzymes. World J. Sci. Technol. 2012;2(2):13-9.

  • Rajagopal R, Suryanarayanan TS. Isolation of endophytic fungi from leaves of neem (Azadirachta indica). Curr Sci. 2000;78:1375-8.

  • Kumar S, Kaushik N. Endophytic fungi isolated from oil-seed crop Jatropha curcas produces oil and exhibit antifungal activity. PloS one. 2013 Feb 8;8(2):e56202.

  • Cardoza RE, Hermosa MR, Vizcaíno JA, Sanz L, Monte E, Gutiérrez S. Secondary metabolites produced by Trichoderma and their importance in the biocontrol process. Microorganism for Industrial Enzymes and Biocontrol. 2005:1-22.

  • Shah A, Rather MA, Shah AM, Mushtaq S, Hussain A, Rasool S, Parry ZA, Qazi PH. Evaluating the in vitro antituberculosis, antibacterial and antioxidant potential of fungal endophytes isolated from Glycyrrhiza glabra L. Annals of Phytomedicine. 2016 Jul 1;5(2):140-6.

  • Sanmanoch W, Mongkolthanaruk W, Kanokmedhakul S, Aimi T, Boonlue S. Isolation of ascomycetous fungi, Neosartorya spp. and screening for its antibacterial metabolites. J Life Sci Technol. 2013;1:180-3.

  • Rivera-Chávez J, González-Andrade M, del Carmen González M, Glenn AE, Mata R. Thielavins A, J and K: α-Glucosidase inhibitors from MEXU 27095, an endophytic fungus from Hintonia latiflora. Phytochemistry. 2013 Oct 1;94:198-205.

  • Rhoden SA, Garcia A, Azevedo JL, Pamphile JA. In silico analysis of diverse endophytic fungi by using ITS1-5, 8S-ITS2 sequences with isolates from various plant families in Brazil. Genet. Mol. Res. 2013 Jan 1;12:935-50.

  • Tiwari S, Singh S, Pandey P, Saikia SK, Negi AS, Gupta SK, Pandey R, Banerjee S. Isolation, structure determination, and antiaging effects of 2, 3-pentanediol from endophytic fungus of Curcuma amada and docking studies. Protoplasma. 2014 Sep 1;251(5):1089-98.

  • Premjanu N, Jaynthy C, Diviya S. Antifungal activity of endophytic fungi isolated from lannea coromandelica–an insilico approach. Int. J. Pharm. Pharm. Sci. 2016;8(5):207-10.

  • Sharma R, Kumar VB. In Silico Interaction Studies on Inhibitory Action of endophytic fungal Diketopiperazine and its related compounds on Heat-Shock Protein 90 (Hsp90). Asian Journal of Biomedical and Pharmaceutical Sciences. 2014 Jan 1;4(28):25.

  • Polonio JC, Almeida TT, Garcia A, Mariucci GE, Azevedo JL, Rhoden SA, Pamphile JA. Biotechnological prospecting of foliar endophytic fungi of guaco (Mikania glomerata Spreng.) with antibacterial and antagonistic activity against phytopathogens. Genetics and Molecular Research. 2015 Jul 3;14(3):7297-309.

  • Hu Z, Wu Y, Xie S, Sun W, Guo Y, Li XN, Liu J, Li H, Wang J, Luo Z, Xue Y. Phomopsterones A and B, two functionalized ergostane-type steroids from the endophytic fungus Phomopsis sp. TJ507A. Organic letters. 2016 Dec 22;19(1):258-61.

  • Kandasamy S, Sahu SK, Kandasamy K. In Silico studies on fungal metabolite against skin cancer protein (4, 5-Diarylisoxazole HSP90 Chaperone). ISRN dermatology. 2012 Sep 6;2012.

  • Gómez-García O, Andrade-Pavón D, Campos-Aldrete E, Ballinas-Indilí R, Méndez-Tenorio A, Villa-Tanaca L, Álvarez-Toledano C. Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo [1, 2-a] pyrimidines. Molecules. 2018 Mar 7;23(3):599

  • Meenambiga SS, Venkataraghavan R, Biswal RA. In silico analysis of plant phytochemicals against secreted aspartic proteinase enzyme of Candida albicans. Journal of Applied Pharmaceutical Science. 2018 Nov;8(11):140-50.

  • Qiu M, Xie RS, Shi Y, Zhang H, Chen HM. Isolation and identification of two flavonoid-producing endophytic fungi from Ginkgo biloba L. Annals of Microbiology. 2010 Mar 1;60(1):143-50.

  • Park MS, Ahn JY, Choi GJ, Choi YH, Jang KS, Kim JC. Potential of the volatile-producing fungus Nodulisporium sp. CF016 for the control of postharvest diseases of apple. The Plant Pathology Journal. 2010;26(3):253-9.

  • Santos Filho FC, da Silva Amaral L, Rodrigues-Filho E. Composition of essential oils from Cupressus lusitanica and a Xylariaceous fungus found on its leaves. Biochemical systematics and ecology. 2011 Aug 1;39(4-6):485-90.

  • Guerrero-Perilla C, Bernal FA, Coy-Barrera ED. Molecular docking study of naturallyoccurring compounds as inhibitors of N-myristoyl transferase towards antifungal agents discovery. Revista Colombiana de Ciencias Químico-Farmacéuticas. 2015 May;44(2):162-78.

  • Liang Z, Xu H, Tian Y, Guo M, Su X, Guo C. Design, synthesis and antifungal activity of novel benzofuran-triazole hybrids. Molecules. 2016;21(6):732.


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  • In-silico Analysis of Endophytic Fungal Metabolites against Secreted Aspartic Proteinase Enzyme of Candida albicans

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Authors

R. Krishna Veni
Department of Bio-Engineering, School of Engineering, Vels Institute of Science, Technology and Advanced Studies (VISTAS), Chennai-600117, Tamilnadu, India
S. S. Meenambiga
Department of Bio-Engineering, School of Engineering, Vels Institute of Science, Technology and Advanced Studies (VISTAS), Chennai-600117, Tamilnadu, India

Abstract


The human microbiome includes various microorganisms where Candida albicans is also called as one of the member and it becomes infectious under conditions of immune dysfunctions which contribute to oral diseases such as oral candidiasis, caries and periodontal diseases. Secreted Aspartic proteinases (SAPs), a key virulence factor of Candida albicans have been established as a potential drug target in treating Candida infections. The present work focuses on the bio-active metabolites produced from endophytic fungi which were isolated from various medicinal plants with oral hygiene properties. About 6 varieties of plants were chosen which includes plants like Mentha, Curcuma longa, Azadirachta indica, Aleo barbadensis etc,. were found to have more oral medicinal properties. Endophytic fungi from those plants include Ascomycetous, Trichoderma harzianum, Fusarium avenaceum, Talaromyces sp., Chaetomium sp., Epicoccum sorghinum, etc,. In this study, in silico analysis of these 20 compounds such as koningnin, griseofulvin, viridin, piliformic acid etc., which were isolated from those endophytic fungi were performed. The compounds which passed Lipinski rule were docked against SAP 5 enzyme using Auto Dock 4.2.6 software. Most of the endophytic fungal compounds shows good Docking score among that viridin and TR-2 mycotoxin showed good docking score with highest binding energy -9.23 kCal/mol and -8.38 kCal/mol respectively against SAP 5 enzyme. Thus, these compounds could be effectively used as drugs targeting SAP 5 enzymes in treating Candida infections.

Keywords


Candida albicans, Secreted Aspartic proteinase 5 (SAP 5), Endophytic Fungi, Docking.

References