Abstract
The growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed drugs has resulted in the failure to treat various infections caused by these superbugs. Therefore, to keep pace with the increasing drug resistance, there is a pressing need for novel antimicrobial agents, especially from non-conventional sources. Several natural products (NPs) have been shown to display promising in vitro activities against multidrug-resistant pathogens. Still, only a few of these compounds have been studied as prospective drug candidates. This may be due to the expensive and time-consuming process of conducting important studies on these compounds. The present review focuses on applying cheminformatics strategies to characterize, prioritize, and optimize NPs to develop new lead compounds against antimicrobial resistance pathogens. Moreover, case studies where these strategies have been used to identify potential drug candidates, including a few selected open-access tools commonly used for these studies, are briefly outlined.
Highlights
The advent of antibiotics in the 20th century has been a significant turning point in medical sciences and humanity [1]
The concept of investigating the ADMET is of interest in early drug discovery given that over 70% of clinical failures have been connected to these properties [86,87]
In light of the growing antimicrobial resistance (AMR), it has become imperative for researchers to stay ahead of this impending global pandemic by developing newer and more potent antibiotics
Summary
The advent of antibiotics in the 20th century has been a significant turning point in medical sciences and humanity [1]. 2. Natural Products in Antimicrobial Drug Discovery Compounds sourced from natural products (NPs) have proven to be promising in the discovery and development of novel antimicrobial drugs [13,14]. Natural Products in Antimicrobial Drug Discovery Compounds sourced from natural products (NPs) have proven to be promising in the discovery and development of novel antimicrobial drugs [13,14] These compounds are obtained from living organisms, such as bacteria, fungi, plants, and marine microorganisms [15,16]. Despite the availability of these bioactivity data for natural products against resistant bacteria, virtually none have been developed into an antimicrobial drug candidate. This mighDtebsepitdeutehetoavthaieladbifliftiycuolft,thbersoeadbi,oraicstkiyv,itycodsatltya, faonr dnattiumrael-ipnrtoendsuicvtes apgraoicnesstsreosfisdtaruntg bdaicscteorviaer, yviartnudaldlyevneolnopemhaevnet b[9e,e3n8]d.
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