Target-Based Small Molecule Drug Discovery for Colorectal Cancer: A Review of Molecular Pathways and In Silico
Said Moshawih1, Ai Fern Lim1, Chrismawan Ardianto2
1PAP Rashidah Sa'adatul Bolkiah Institute of Health Sciences, Universiti Brunei Darussalam, Gadong BE 1410, Brunei.
Abstract:
Colorectal cancer is one of the most prevalent cancer types. Although there have been breakthroughs in its treatments, a better understanding of the molecular mechanisms and genetic involvement in colorectal cancer will have a substantial role in producing novel and targeted treatments with better safety profiles. In this review, the main molecular pathways and driver genes that are responsible for initiating and propagating the cascade of signaling molecules reaching carcinoma and the aggressive metastatic stages of colorectal cancer were presented. Protein kinases involved in colorectal cancer, as much as other cancers, have seen much focus and committed efforts due to their crucial role in subsidizing, inhibiting, or changing the disease course. Moreover, notable improvements in colorectal cancer treatments with in silico studies and the enhanced selectivity on specific macromolecular targets were discussed. Besides, the selective multi-target agents have been made easier by employing in silico methods in molecular de novo synthesis or target identification and drug repurposing.
Insights
Understanding colorectal cancer molecular pathways and genetic drivers is key to developing targeted therapies. In silico studies are advancing drug discovery and repurposing for better colorectal cancer treatment.
Area of Science:
- Oncology
- Molecular Biology
- Genetics
Background:
- Colorectal cancer (CRC) is a leading cause of cancer-related mortality worldwide.
- Despite treatment advances, a deeper understanding of CRC's molecular underpinnings is needed for improved therapies.
- Genetic alterations and signaling pathways are critical in CRC initiation, progression, and metastasis.
Purpose of the Study:
- To review key molecular pathways and driver genes implicated in colorectal cancer.
- To highlight the role of protein kinases in CRC pathogenesis and therapeutic strategies.
- To discuss the impact of in silico studies on CRC treatment development, including drug repurposing.
Main Methods:
- Literature review focusing on molecular mechanisms in colorectal cancer.
- Analysis of signaling pathways and genetic drivers of CRC.
- Examination of in silico approaches for drug discovery and target identification.
Main Results:
- Identified critical molecular pathways and driver genes central to colorectal cancer development.
- Emphasized the significant role of protein kinases in modulating CRC progression.
- Demonstrated the utility of in silico methods in enhancing selectivity for macromolecular targets.
Conclusions:
- A comprehensive understanding of molecular mechanisms is vital for novel, targeted colorectal cancer treatments.
- In silico studies facilitate the development of selective multi-target agents and drug repurposing for CRC.
- Advancements in computational approaches promise improved safety and efficacy in colorectal cancer therapy.
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