Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis
Vascular endothelial growth factor receptor-2 (VEGFR2) plays a pivotal role in promoting angiogenesis and contributing to the growth and progression of renal cancer. Hence, the current investigation was undertaken with the aim of identifying safe and potent phytochemicals from Aeginetia indica whole...
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Elsevier
2025-01-01
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| Series: | Heliyon |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S240584402500129X |
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| author | Marjanur Rahman Bhuiyan Khondoker Shahin Ahmed Md Sharif Reza Hemayet Hossain Syed Mumtahin Mannan Siam Shahriar Nayan Sarah Jafrin Sadikur Rahman Shuvo A.F.M.Shahid Ud Daula |
| author_facet | Marjanur Rahman Bhuiyan Khondoker Shahin Ahmed Md Sharif Reza Hemayet Hossain Syed Mumtahin Mannan Siam Shahriar Nayan Sarah Jafrin Sadikur Rahman Shuvo A.F.M.Shahid Ud Daula |
| author_sort | Marjanur Rahman Bhuiyan |
| collection | DOAJ |
| description | Vascular endothelial growth factor receptor-2 (VEGFR2) plays a pivotal role in promoting angiogenesis and contributing to the growth and progression of renal cancer. Hence, the current investigation was undertaken with the aim of identifying safe and potent phytochemicals from Aeginetia indica whole plant extract (AiWE) that can efficiently suppress the overexpression of VEGFR2. HPLC analysis identified and quantified 11 polyphenols in considerable amounts in AiWE. All the compounds showed good binding energies with VEGFR2 in the molecular docking study, except catechin hydrate and rutin hydrate. However, among the polyphenols, myricetin exhibited an almost similar hydrogen bonding pattern with the active site of VEGFR2. The all-atom molecular dynamic simulation revealed that myricetin showed a very stable interaction with the active site of VEGFR2 throughout the simulation. Based on these results, it is suggested that myricetin may inhibit angiogenesis by suppressing the VEGFR2 signaling, thereby impeding the growth and progression of renal cancer. |
| format | Article |
| id | doaj-art-6ca13572a2fb4c6ea66b9cf18c88ddb0 |
| institution | Kabale University |
| issn | 2405-8440 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj-art-6ca13572a2fb4c6ea66b9cf18c88ddb02025-02-02T05:28:05ZengElsevierHeliyon2405-84402025-01-01112e41749Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysisMarjanur Rahman Bhuiyan0Khondoker Shahin Ahmed1Md Sharif Reza2Hemayet Hossain3Syed Mumtahin Mannan Siam4Shahriar Nayan5Sarah Jafrin6Sadikur Rahman Shuvo7A.F.M.Shahid Ud Daula8Department of Pharmacy, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, BangladeshChemical Research Division, Bangladesh Council of Scientific and Industrial Research (BCSIR), Dhaka, 1205, Bangladesh; Institute of Food Science and Technology (IFST), Bangladesh Council of Scientific and Industrial Research (BCSIR), Dhaka, 1205, BangladeshDepartment of Pharmacy, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, BangladeshChemical Research Division, Bangladesh Council of Scientific and Industrial Research (BCSIR), Dhaka, 1205, BangladeshDepartment of Pharmacy, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, BangladeshDepartment of Pharmacy, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, BangladeshDepartment of Pharmacy, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, BangladeshDepartment of Microbiology, Noakhali Science and Technology University, Sonapur, Noakhali, Bangladesh; Corresponding author. Department of Microbiology, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, Bangladesh.Department of Pharmacy, Noakhali Science and Technology University, Sonapur, Noakhali, 3814, Bangladesh; Corresponding author. Department of Pharmacy, Noakhali Science and Technology University, Noakhali, 3814, Bangladesh.Vascular endothelial growth factor receptor-2 (VEGFR2) plays a pivotal role in promoting angiogenesis and contributing to the growth and progression of renal cancer. Hence, the current investigation was undertaken with the aim of identifying safe and potent phytochemicals from Aeginetia indica whole plant extract (AiWE) that can efficiently suppress the overexpression of VEGFR2. HPLC analysis identified and quantified 11 polyphenols in considerable amounts in AiWE. All the compounds showed good binding energies with VEGFR2 in the molecular docking study, except catechin hydrate and rutin hydrate. However, among the polyphenols, myricetin exhibited an almost similar hydrogen bonding pattern with the active site of VEGFR2. The all-atom molecular dynamic simulation revealed that myricetin showed a very stable interaction with the active site of VEGFR2 throughout the simulation. Based on these results, it is suggested that myricetin may inhibit angiogenesis by suppressing the VEGFR2 signaling, thereby impeding the growth and progression of renal cancer.http://www.sciencedirect.com/science/article/pii/S240584402500129XAeginetia indicaVEGFR2HPLC analysisMyricetinRenal cancer |
| spellingShingle | Marjanur Rahman Bhuiyan Khondoker Shahin Ahmed Md Sharif Reza Hemayet Hossain Syed Mumtahin Mannan Siam Shahriar Nayan Sarah Jafrin Sadikur Rahman Shuvo A.F.M.Shahid Ud Daula Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis Heliyon Aeginetia indica VEGFR2 HPLC analysis Myricetin Renal cancer |
| title | Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis |
| title_full | Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis |
| title_fullStr | Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis |
| title_full_unstemmed | Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis |
| title_short | Prediction of angiogenesis suppression by myricetin from Aeginetia indica via inhibiting VEGFR2 signaling pathway using computer-aided analysis |
| title_sort | prediction of angiogenesis suppression by myricetin from aeginetia indica via inhibiting vegfr2 signaling pathway using computer aided analysis |
| topic | Aeginetia indica VEGFR2 HPLC analysis Myricetin Renal cancer |
| url | http://www.sciencedirect.com/science/article/pii/S240584402500129X |
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