Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinoma
Hepatocellular carcinoma (HCC) is the most prevalent primary liver cancer, with a high mortality rate due to the limited therapeutic options. Systemic drug treatments improve the patient’s life expectancy by only a few months. Furthermore, the development of novel small molecule chemotherapeutics is...
Gespeichert in:
| Hauptverfasser: | , , , |
|---|---|
| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
29 August 2024
|
| In: |
International journal of molecular sciences
Year: 2024, Jahrgang: 25, Heft: 17, Pages: 1-20 |
| ISSN: | 1422-0067 |
| DOI: | 10.3390/ijms25179392 |
| Online-Zugang: | Verlag, kostenfrei, Volltext: https://doi.org/10.3390/ijms25179392 Verlag, kostenfrei, Volltext: https://www.mdpi.com/1422-0067/25/17/9392 
|
| Verfasserangaben: | Tugce Baser, Ahmet Sureyya Rifaioglu, Mehmet Volkan Atalay and Rengul Cetin Atalay |
MARC
| LEADER | 00000caa a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 191788589X | ||
| 003 | DE-627 | ||
| 005 | 20250716233408.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 250224s2024 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.3390/ijms25179392 |2 doi | |
| 035 | |a (DE-627)191788589X | ||
| 035 | |a (DE-599)KXP191788589X | ||
| 035 | |a (OCoLC)1528019551 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 33 |2 sdnb | ||
| 100 | 1 | |a Baser, Tugce |e VerfasserIn |0 (DE-588)1357419538 |0 (DE-627)191788754X |4 aut | |
| 245 | 1 | 0 | |a Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinoma |c Tugce Baser, Ahmet Sureyya Rifaioglu, Mehmet Volkan Atalay and Rengul Cetin Atalay |
| 264 | 1 | |c 29 August 2024 | |
| 300 | |b Illustrationen | ||
| 300 | |a 20 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gesehen am 24.02.2025 | ||
| 520 | |a Hepatocellular carcinoma (HCC) is the most prevalent primary liver cancer, with a high mortality rate due to the limited therapeutic options. Systemic drug treatments improve the patient’s life expectancy by only a few months. Furthermore, the development of novel small molecule chemotherapeutics is time-consuming and costly. Drug repurposing has been a successful strategy for identifying and utilizing new therapeutic options for diseases with limited treatment options. This study aims to identify candidate drug molecules for HCC treatment through repurposing existing compounds, leveraging the machine learning tool MDeePred. The Open Targets Platform, UniProt, ChEMBL, and Expasy databases were used to create a dataset for drug target interaction (DTI) predictions by MDeePred. Enrichment analyses of DTIs were conducted, leading to the selection of 6 out of 380 DTIs identified by MDeePred for further analyses. The physicochemical properties, lipophilicity, water solubility, drug-likeness, and medicinal chemistry properties of the candidate compounds and approved drugs for advanced stage HCC (lenvatinib, regorafenib, and sorafenib) were analyzed in detail. Drug candidates exhibited drug-like properties and demonstrated significant target docking properties. Our findings indicated the binding efficacy of the selected drug compounds to their designated targets associated with HCC. In conclusion, we identified small molecules that can be further exploited experimentally in HCC therapeutics. Our study also demonstrated the use of the MDeePred deep learning tool in in silico drug repurposing efforts for cancer therapeutics. | ||
| 650 | 4 | |a drug candidate | |
| 650 | 4 | |a drug repurposing | |
| 650 | 4 | |a hepatocellular carcinoma | |
| 650 | 4 | |a machine learning | |
| 650 | 4 | |a MDeePred | |
| 700 | 1 | |a Rifaioglu, Ahmet |e VerfasserIn |0 (DE-588)1300369957 |0 (DE-627)1858156408 |4 aut | |
| 700 | 1 | |a Atalay, Mehmet Volkan |e VerfasserIn |4 aut | |
| 700 | 1 | |a Atalay, Rengul Cetin |e VerfasserIn |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t International journal of molecular sciences |d Basel : Molecular Diversity Preservation International, 2000 |g 25(2024), 17, Artikel-ID 9392, Seite 1-20 |h Online-Ressource |w (DE-627)316340715 |w (DE-600)2019364-6 |w (DE-576)281194653 |x 1422-0067 |7 nnas |a Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinoma |
| 773 | 1 | 8 | |g volume:25 |g year:2024 |g number:17 |g elocationid:9392 |g pages:1-20 |g extent:20 |a Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinoma |
| 856 | 4 | 0 | |u https://doi.org/10.3390/ijms25179392 |x Verlag |x Resolving-System |z kostenfrei |3 Volltext |
| 856 | 4 | 0 | |u https://www.mdpi.com/1422-0067/25/17/9392 |x Verlag |z kostenfrei |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20250224 | ||
| 993 | |a Article | ||
| 994 | |a 2024 | ||
| 998 | |g 1300369957 |a Rifaioğlu, Ahmet |m 1300369957:Rifaioğlu, Ahmet |d 910000 |d 912900 |e 910000PR1300369957 |e 912900PR1300369957 |k 0/910000/ |k 1/910000/912900/ |p 2 | ||
| 999 | |a KXP-PPN191788589X |e 4670095919 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"title":[{"title":"Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinoma","title_sort":"Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinoma"}],"person":[{"family":"Baser","roleDisplay":"VerfasserIn","role":"aut","given":"Tugce","display":"Baser, Tugce"},{"family":"Rifaioglu","role":"aut","roleDisplay":"VerfasserIn","given":"Ahmet","display":"Rifaioglu, Ahmet"},{"given":"Mehmet Volkan","display":"Atalay, Mehmet Volkan","family":"Atalay","role":"aut","roleDisplay":"VerfasserIn"},{"given":"Rengul Cetin","display":"Atalay, Rengul Cetin","family":"Atalay","roleDisplay":"VerfasserIn","role":"aut"}],"name":{"displayForm":["Tugce Baser, Ahmet Sureyya Rifaioglu, Mehmet Volkan Atalay and Rengul Cetin Atalay"]},"origin":[{"dateIssuedDisp":"29 August 2024","dateIssuedKey":"2024"}],"type":{"bibl":"article-journal","media":"Online-Ressource"},"note":["Gesehen am 24.02.2025"],"relHost":[{"id":{"issn":["1422-0067","1661-6596"],"eki":["316340715"],"zdb":["2019364-6"]},"recId":"316340715","physDesc":[{"extent":"Online-Ressource"}],"language":["eng"],"type":{"bibl":"periodical","media":"Online-Ressource"},"note":["Gesehen am 17.09.20"],"origin":[{"publisher":"Molecular Diversity Preservation International","dateIssuedKey":"2000","dateIssuedDisp":"2000-","publisherPlace":"Basel"}],"pubHistory":["1.2000 -"],"part":{"extent":"20","pages":"1-20","volume":"25","issue":"17","year":"2024","text":"25(2024), 17, Artikel-ID 9392, Seite 1-20"},"titleAlt":[{"title":"IJMS"}],"disp":"Drug repurposing approach to identify candidate drug molecules for hepatocellular carcinomaInternational journal of molecular sciences","title":[{"title":"International journal of molecular sciences","title_sort":"International journal of molecular sciences"}]}],"language":["eng"],"physDesc":[{"extent":"20 S.","noteIll":"Illustrationen"}],"recId":"191788589X","id":{"doi":["10.3390/ijms25179392"],"eki":["191788589X"]}} | ||
| SRT | |a BASERTUGCEDRUGREPURP2920 | ||