Target Identification Approaches in Drug Discovery

Rasul, Azhar; Riaz, Ammara; Sarfraz, Iqra; Khan, Samreen Gul; Hussain, Ghulam; Zara, Rabia; Sadiqa, Ayesha; Bushra, Gul; Riaz, Saba; Iqbal, Muhammad; Hassan, Mudassir; Khorsandi, Khatereh

doi:10.1007/978-3-030-95895-4_3

Cited by 3 publications

(1 citation statement)

References 60 publications

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“…Insufficient knowledge of drug mechanism of action including its target is one of the main causes of a failure of potential drug candidates in clinical trials. In addition, understanding drug target can minimize drug's lack of efficacy and the occurrence of off-target effects, which often cause drug side effects [2,3]. As such, more stringent methods are required to validate the targets of potential drugs prior to being progressed to the clinic.…”

Section: Introductionmentioning

confidence: 99%

Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins

Luthfiana,

Soleha,

Prasetiyo

et al. 2023

Food systems

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Oscillatoxins (OTXs) are cytotoxins produced by some marine cyanobacteria. Their unique structures show a great potency as an anticancer agent. The limited availability of OTX derivatives in nature provides little information about their biological activity. Some of OTX activities have been tested in the in vitro or in vivo studies toward cancer cell lines, but their exact mechanism of action on the target is unclear. In this study, we used the network pharmacology analysis method to predict the target and mechanism of action of oscillatoxin D (OTX-D), 30 methyl oscillatoxin D (30-methyl-OTX-D), oscillatoxin E (OTX-E), and oscillatoxin F (OTX-F). There are 20 possible targets of the four compounds toward cancer, and the main targets of them are PIK3CA, CDK1, and MTOR. This was also followed by the molecular docking study to understand the interaction between the four compounds and their targets. Molecular docking showed that the four compounds interacted well with the key targets. In this study, four derivatives of OTXs and their three key targets for the anticancer action were revealed suggesting multiple signaling pathways, including PD-L1 expression and PD‑1 checkpoint pathway in cancer, proteoglycans in cancer, and pathways in cancer, establishing a theoretical framework for the further experimental study.

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Section: Introductionmentioning

confidence: 99%

Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins

Luthfiana,

Soleha,

Prasetiyo

et al. 2023

Food systems

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Application of CRISPR–Cas Technology in Drug Development

Altaf,

Saleem,

Ikram

et al. 2024

Trends in Plant Biotechnology

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Target identification of small molecules: an overview of the current applications in drug discovery

Tabana,

Babu,

Fahlman

et al. 2023

BMC Biotechnol

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Target identification is an essential part of the drug discovery and development process, and its efficacy plays a crucial role in the success of any given therapy. Although protein target identification research can be challenging, two main approaches can help researchers make significant discoveries: affinity-based pull-down and label-free methods. Affinity-based pull-down methods use small molecules conjugated with tags to selectively isolate target proteins, while label-free methods utilize small molecules in their natural state to identify targets. Target identification strategy selection is essential to the success of any drug discovery process and must be carefully considered when determining how to best pursue a specific project. This paper provides an overview of the current target identification approaches in drug discovery related to experimental biological assays, focusing primarily on affinity-based pull-down and label-free approaches, and discusses their main limitations and advantages.

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Target Identification Approaches in Drug Discovery

Cited by 3 publications

References 60 publications

Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins

Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins

Application of CRISPR–Cas Technology in Drug Development

Target identification of small molecules: an overview of the current applications in drug discovery

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