» Articles » PMID: 35883434

Target-Based Small Molecule Drug Discovery for Colorectal Cancer: A Review of Molecular Pathways and In Silico Studies

Overview
Journal Biomolecules
Publisher MDPI
Date 2022 Jul 27
PMID 35883434
Authors
Affiliations
Soon will be listed here.
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.

Citing Articles

Anti colorectal cancer activity and in silico studies of novel pyridine nortopsentin analog as cyclin dependent kinase 6 inhibitor.

Abdelmegeed H, Abo-Salem H, Zayed E, El-Sawy E Sci Rep. 2024; 14(1):26327.

PMID: 39487179 PMC: 11530689. DOI: 10.1038/s41598-024-75411-3.


Epigenetic modulation of autophagy pathway by small molecules in colorectal cancer: a systematic review.

Zamani M, Safari F, Siri M, Igder S, Khatami N, Dastghaib S J Cancer Res Clin Oncol. 2024; 150(10):474.

PMID: 39441422 PMC: 11499346. DOI: 10.1007/s00432-024-05982-1.


Consensus holistic virtual screening for drug discovery: a novel machine learning model approach.

Moshawih S, Bu Z, Goh H, Kifli N, Lee L, Goh K J Cheminform. 2024; 16(1):62.

PMID: 38807196 PMC: 11134635. DOI: 10.1186/s13321-024-00855-8.


Plasma ctDNA enhances the tissue-based detection of oncodriver mutations in colorectal cancer.

Wang W, Huang Y, Kong J, Lu L, Liao Q, Zhu J Clin Transl Oncol. 2024; 26(8):1976-1987.

PMID: 38777950 PMC: 11249419. DOI: 10.1007/s12094-024-03422-7.


Insights into the computer-aided drug design and discovery based on anthraquinone scaffold for cancer treatment: A systematic review.

Chua H, Moshawih S, Kifli N, Goh H, Ming L PLoS One. 2024; 19(5):e0301396.

PMID: 38776291 PMC: 11111074. DOI: 10.1371/journal.pone.0301396.


References
1.
Brieger A, Adryan B, Wolpert F, Passmann S, Zeuzem S, Trojan J . Cytoskeletal scaffolding proteins interact with Lynch-Syndrome associated mismatch repair protein MLH1. Proteomics. 2010; 10(18):3343-55. DOI: 10.1002/pmic.200900672. View

2.
Negureanu L, Salsbury Jr F . The molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes. J Biomol Struct Dyn. 2012; 30(3):347-61. PMC: 3389999. DOI: 10.1080/07391102.2012.680034. View

3.
Ornitz D, Itoh N . Fibroblast growth factors. Genome Biol. 2001; 2(3):REVIEWS3005. PMC: 138918. DOI: 10.1186/gb-2001-2-3-reviews3005. View

4.
Karnik K, Sarkate A, Lokwani D, Narula I, Burra P, Wakte P . Development of triple mutant T790M/C797S allosteric EGFR inhibitors: a computational approach. J Biomol Struct Dyn. 2020; 39(15):5376-5398. DOI: 10.1080/07391102.2020.1786460. View

5.
Wahlberg S, Schmeits J, Thomas G, Loda M, Garber J, Syngal S . Evaluation of microsatellite instability and immunohistochemistry for the prediction of germ-line MSH2 and MLH1 mutations in hereditary nonpolyposis colon cancer families. Cancer Res. 2002; 62(12):3485-92. View