In Silico Modeling of FDA-Approved Drugs for Discovery of Anticandida Agents: A Drug-Repurposing Approach

Chakraborti, S and Ramakrishnan, G and Srinivasan, N (2019) In Silico Modeling of FDA-Approved Drugs for Discovery of Anticandida Agents: A Drug-Repurposing Approach. [Book Chapter]

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Abstract

The current public-health burden caused by invasive fungal infections, especially by Candida albicans, is becoming a growing concern due to the emergence of antifungal drug resistance, further compounded by availability of a limited antifungal armament. Indeed, this calls for the development of new formulations for antifungal agents. Concomitantly, several research groups have sought to improve treatment via different strategies, such as combinatorial therapy or boosting the host's immune response through vaccines. In this article, we describe an in silico drug-repurposing strategy to identify potential anticandida agents from the existing repertoire of Food and Drug Administration-approved drugs by means of the comparative analyses of targets of approved drugs and proteins of C. albicans. We identified 26 approved drugs with antifungal potential that can be repurposed against 31 protein targets of C. albicans. Through chemical similarity searches we identified an additional set of 33 approved drugs that may have an inhibitory effect on C. albicans. The drug-target associations made in our study have the potential to further clinical investigations related to the antifungal drug-development pipeline.

Item Type:	Book Chapter
Publication:	In Silico Drug Design: Repurposing Techniques and Methodologies
Publisher:	Elsevier
Additional Information:	The copyright for this article belongs to Elsevier.
Keywords:	Antifungals; Candida albicans; Drug repurposing; In silico approach; Protein evolution
Department/Centre:	Division of Biological Sciences > Molecular Biophysics Unit Division of Physical & Mathematical Sciences > Mathematics
Date Deposited:	01 Dec 2022 07:25
Last Modified:	01 Dec 2022 07:25
URI:	https://eprints.iisc.ac.in/id/eprint/78139

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