PMID- 36820318 OWN - NLM STAT- MEDLINE DCOM- 20230301 LR - 20230301 IS - 1748-6718 (Electronic) IS - 1748-670X (Print) IS - 1748-670X (Linking) VI - 2023 DP - 2023 TI - Combined Network Pharmacology and Molecular Docking to Verify the Treatment of Type 2 Diabetes with Pueraria Lobata Radix and Salviae Miltiorrhizae Radix. PG - 9150324 LID - 10.1155/2023/9150324 [doi] LID - 9150324 AB - OBJECTIVE: To explore the potential molecular mechanism of Pueraria Lobata Radix (RP) and Salviae Miltiorrhizae Radix (RS) in the treatment of type 2 diabetes mellitus (T2DM) based on network pharmacology and molecular docking. METHODS: The chemical constituents and core targets of RP and RS were searched by Traditional Chinese Medicine System Pharmacology (TCMSP); target genes related to T2DM were obtained through GeneCards database, component target network diagram was constructed, intersection genes of active compounds and T2DM were synthesized, protein-protein interaction (PPI) relationship was obtained, and core targets were screened by using Cytoscape 3.7.2. Gene Ontology (GO) biological process and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway were analyzed utilizing R studio 4.0.4 according to David database. Based on molecular docking, the screened active components of RP and RS were verified by molecular docking with the core target using Discovery Studio 2019. RESULTS: There were totally 92 components and 29 corresponding targets in the component target network of RP and RS drug pair, of which 6 were the core targets of RP and RS in the treatment of T2DM. Molecular docking results showed that the active compounds of puerarin, formononetin, tanshinone iia, and luteolin had better binding activity with AKT1, VEGFA, NOS3, PPARG, MMP9, and VCAM1, respectively. Among them, puerarin showed significant effects in activating NOS3 pathway and luteolin exhibited significant effects in activating MMP9 pathway, respectively. The main biological processes mainly including xenobiotic stimulus, response to peptide, gland development, response to radiation, cellular response to chemical stress, response to oxygen levels, and the main signal pathways include response to xenobiotic stimulus, cellular response to chemical stress, response to peptide, gland development, and response to oxygen levels. CONCLUSION: Network pharmacology is an effective tool to explain the action mechanism of Traditional Chinese Medicine (TCM) from the overall perspective. RP and RS pair could alleviate T2DM via the molecular mechanism predicted by the network pharmacology, which provided new ideas and further research on the molecular mechanism of T2DM. CI - Copyright (c) 2023 Jingxin Mao et al. FAU - Mao, Jingxin AU - Mao J AUID- ORCID: 0000-0002-2813-1702 AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - College of Pharmaceutical Sciences, Southwest University, Chongqing 400715, China. FAU - Wang, Guowei AU - Wang G AD - College of Pharmaceutical Sciences, Southwest University, Chongqing 400715, China. FAU - Yang, Lin AU - Yang L AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Tan, Lihong AU - Tan L AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Tian, Cheng AU - Tian C AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Tang, Lijing AU - Tang L AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Fang, Ling AU - Fang L AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Mu, Zhenqiang AU - Mu Z AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Zhu, Zhaojing AU - Zhu Z AUID- ORCID: 0000-0002-8233-0489 AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. FAU - Li, Yan AU - Li Y AUID- ORCID: 0000-0001-5151-8318 AD - Chongqing Medical and Pharmaceutical College, Chongqing 400030, China. AD - Chongqing Key Laboratory of High Active Traditional Chinese Drug Delivery System, Chongqing 400030, China. LA - eng PT - Journal Article DEP - 20230211 PL - United States TA - Comput Math Methods Med JT - Computational and mathematical methods in medicine JID - 101277751 RN - 0 (Drugs, Chinese Herbal) RN - KUX1ZNC9J2 (Luteolin) RN - EC 3.4.24.35 (Matrix Metalloproteinase 9) RN - 0 (Xenobiotics) SB - IM MH - Humans MH - *Diabetes Mellitus, Type 2 MH - *Drugs, Chinese Herbal MH - Luteolin MH - Matrix Metalloproteinase 9 MH - Medicine, Chinese Traditional MH - Molecular Docking Simulation MH - Network Pharmacology MH - *Pueraria MH - Xenobiotics MH - Salvia/chemistry PMC - PMC9938769 COIS- All authors declare that there have no any commercial or associative interest that represents competing interests in connection with the work submitted. EDAT- 2023/02/24 06:00 MHDA- 2023/03/03 06:00 PMCR- 2023/02/11 CRDT- 2023/02/23 10:36 PHST- 2022/10/05 00:00 [received] PHST- 2022/10/27 00:00 [revised] PHST- 2022/11/24 00:00 [accepted] PHST- 2023/02/23 10:36 [entrez] PHST- 2023/02/24 06:00 [pubmed] PHST- 2023/03/03 06:00 [medline] PHST- 2023/02/11 00:00 [pmc-release] AID - 10.1155/2023/9150324 [doi] PST - epublish SO - Comput Math Methods Med. 2023 Feb 11;2023:9150324. doi: 10.1155/2023/9150324. eCollection 2023.