SILICO MODELING AND DOCKING OF Cch1 PROTEIN OF CANDIDA GLABRATA WITH FDA-APPROVED DRUGS: A DRUG REPURPOSING APPROACH

  • Haseen Ahmad Department of Biotechnology, Graphic Era University. Dehradun, Uttarakhand
  • Payal Gupta Department of Biotechnology, Graphic Era University. Dehradun, Uttarakhand
  • Neema Tufchi Department of Biotechnology, Graphic Era University. Dehradun, Uttarakhand
  • Kumud Pant Department of Biotechnology, Graphic Era University. Dehradun, Uttarakhand
  • Navin Kumar Department of Biotechnology, Graphic Era University. Dehradun, Uttarakhand

Abstract


Objective: Candida-associated mortality rate is increased worldwide in past few years due to increased resistance to available antifungal agents,
where Candida glabrata has emerged as one of the most upcoming pathogens. To combat the Candida infection, new drug molecule is required. Hence,
we have studied the antifungal potential of some FDA-approved drug by in silico tools against Cch1, membrane Ca
+2
channel protein of C. glabrata.
Methods: The 3D structure of Cch1 was predicted by Swiss modeling tool. Secondary structure was predicted by Sopma software. The docking of
FDA-approved drugs with C. glabrata Cch1 was done by iGemdock and Hex software separately.
Results: We have tested total nine drugs against Cch1. Amlodipin besylate exhibited best binding energy (–372.16 kcal/mol and –185 kcal/mol for
iGemdock and Hex, respectively) followed by Artesunate (–266.97 kcal/mol and –164.6 kcal/mol), Etazolate –244.35 kcal/mol and –163.9 kcal/mol).
Conclusion: Amlodipin besylate has the best antifungal properties and could be used as drug after further in vitro and in vivo studies. It can be directly
come in practice since its toxicological testing has already been done.
Keywords: Candida glabrata, CCH1, Calcium channel, Docking, Drug repurposing.

Author Biography

Navin Kumar, Department of Biotechnology, Graphic Era University. Dehradun, Uttarakhand
Assistant Professor, Department of Biotechnology, Graphic Era Unievrsity.

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How to Cite
Ahmad, H., P. Gupta, N. Tufchi, K. Pant, and N. Kumar. “SILICO MODELING AND DOCKING OF Cch1 PROTEIN OF CANDIDA GLABRATA WITH FDA-APPROVED DRUGS: A DRUG REPURPOSING APPROACH”. Asian Journal of Pharmaceutical and Clinical Research, Vol. 9, no. 1, Jan. 2016, pp. 148-53, https://innovareacademics.in/journals/index.php/ajpcr/article/view/8718.
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