Back

Anticancer Target Combinations: Network-Informed Signaling-Based Approach to Discovery

Yavuz, B. R.; Jang, H.; Nussinov, R.

2024-10-15 bioinformatics
10.1101/2024.10.11.617918 bioRxiv
Show abstract

While anticancer drug discovery has seen dramatic innovations and successes, sequential single therapies are time-limited by resistance, and combinatorial strategies have been lagging. The number of possible drug combinations is vast. To select drug combinations the oncologist requires knowledge of the optimal combination of proteins to co-target. Currently, combinations that the oncologist considers are primarily from empirical observations and clinical praxis. Our aim is to develop a signaling-based method to discover optimal proteins for the oncologist to co-target with drug combinations, and test it on available, patient-derived data. To temper the expected resistance to single drug regimen, we offer a concept-based stratified pipeline aimed at selecting co-targets for drug combinations. Our strategy is unique in its co-target selection being based on signaling pathways. This is significant since in cancer, drug resistance commonly bypasses blocked proteins by wielding alternative, or complementary, routes to execute cell proliferation. Our network-informed signaling-based approach harnesses advanced network concepts and metrics, and our compiled, tissue-specific co-existing mutations. Co-existing driver mutations are common in resistance. Thus, to mimic cancer and counter drug resistance scenarios, our pipeline seeks co-targets that when targeted by drug combinations, can shut off cancers modus operandi. That is, its parallel or complementary signaling pathways would be blocked. Rotating through combinations could further lessen emerging resistance. We applied it to patient-derived breast and colorectal ESR1|PIK3CA and BRAF|PIK3CA subnetworks. Consistently, in breast cancer, our results suggest co-targeting proteins from the ESR1|PIK3CA subnetwork with an alpelisib-LJM716 combination. In colorectal cancer, they co-target BRAF|PIK3CA with alpelisib, cetuximab, and encorafenib combination. Collectively, our pipelines results are promising, and validated by patient-based xenografts. GRAPHICAL ABSTRACT O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=200 SRC="FIGDIR/small/617918v1_ufig1.gif" ALT="Figure 1"> View larger version (65K): org.highwire.dtl.DTLVardef@81dc11org.highwire.dtl.DTLVardef@197012dorg.highwire.dtl.DTLVardef@ce3853org.highwire.dtl.DTLVardef@d3ec3a_HPS_FORMAT_FIGEXP M_FIG C_FIG

Matching journals

The top 13 journals account for 50% of the predicted probability mass.

1
iScience
1063 papers in training set
Top 0.6%
8.4%
2
npj Systems Biology and Applications
99 papers in training set
Top 0.3%
4.9%
3
Artificial Intelligence in the Life Sciences
11 papers in training set
Top 0.1%
4.3%
4
Bioinformatics
1061 papers in training set
Top 5%
4.2%
5
PLOS Computational Biology
1633 papers in training set
Top 9%
4.0%
6
Computational and Structural Biotechnology Journal
216 papers in training set
Top 1%
3.7%
7
Patterns
70 papers in training set
Top 0.2%
3.6%
8
Briefings in Bioinformatics
326 papers in training set
Top 2%
3.6%
9
Nature Communications
4913 papers in training set
Top 39%
3.6%
10
Scientific Reports
3102 papers in training set
Top 36%
3.6%
11
Cell Systems
167 papers in training set
Top 4%
3.1%
12
Journal of Chemical Information and Modeling
207 papers in training set
Top 2%
1.9%
13
Cell Reports Medicine
140 papers in training set
Top 3%
1.9%
50% of probability mass above
14
Advanced Science
249 papers in training set
Top 10%
1.8%
15
eLife
5422 papers in training set
Top 40%
1.8%
16
Cell Genomics
162 papers in training set
Top 3%
1.7%
17
Bioinformatics Advances
184 papers in training set
Top 3%
1.7%
18
PLOS ONE
4510 papers in training set
Top 55%
1.7%
19
International Journal of Molecular Sciences
453 papers in training set
Top 8%
1.7%
20
Proceedings of the National Academy of Sciences
2130 papers in training set
Top 33%
1.7%
21
BMC Bioinformatics
383 papers in training set
Top 5%
1.7%
22
Nucleic Acids Research
1128 papers in training set
Top 13%
1.3%
23
Cancer Cell
38 papers in training set
Top 1%
1.3%
24
Cancer Research
116 papers in training set
Top 3%
1.2%
25
Computers in Biology and Medicine
120 papers in training set
Top 3%
1.2%
26
Genomics, Proteomics & Bioinformatics
171 papers in training set
Top 4%
1.2%
27
Cancers
200 papers in training set
Top 4%
1.0%
28
PeerJ
261 papers in training set
Top 11%
1.0%
29
Genome Medicine
154 papers in training set
Top 6%
1.0%
30
npj Digital Medicine
97 papers in training set
Top 3%
0.9%