{ "id": 5719, "date": "2026-10-12T23:27:56", "date_gmt": "2026-10-12T23:27:56", "guid": { "rendered": "https:\/\/dirghajoshi.com.np\/?p=5719" }, "modified": "2026-10-12T23:27:59", "modified_gmt": "2026-10-12T23:27:59", "slug": "anti-angiogenic-potential-of-artemisia-vulgaris-mugwort-via-egfr-associated-signaling-pathways-elucidation-through-network-pharmacology-molecular-docking-and-md-simulation", "status": "publish", "type": "post", "link": "https:\/\/dirghajoshi.com.np\/en\/anti-angiogenic-potential-of-artemisia-vulgaris-mugwort-via-egfr-associated-signaling-pathways-elucidation-through-network-pharmacology-molecular-docking-and-md-simulation\/", "title": { "rendered": "Anti-angiogenic potential of Artemisia vulgaris (mugwort) via EGFR-associated signaling pathways: Elucidation through network pharmacology, molecular docking, and MD simulation" }, "content": { "rendered": "

Authors: Sangam K\u2024C\u2024 a<\/sup>, Shankar Thapa b<\/sup>, Nisha Adhikari a<\/sup>, Dirgha Raj Joshi a<\/sup><\/p>\n\n\n\n

a) School of Pharmacy, Karnali Academy of Health Sciences, Jumla, Nepal<\/p>\n\n\n\n

b) Department of Pharmacy, Madan Bhandari Academy of Health Sciences, Hetauda, Nepal<\/p>\n\n\n\n

<\/p>\n\n\n\n

Abstract<\/h2>\n\n\n\n

Background<\/h3>\n\n\n\n

Pathological angiogenesis is a key characteristic of cancer and other proliferative diseases and represents an important therapeutic target. Artemisia vulgaris<\/em> L. (mugwort) is a medicinal plant with diverse phytochemicals; however, its anti-angiogenic mechanisms remain insufficiently explored.<\/p>\n\n\n\n

Methods<\/h3>\n\n\n\n

Network pharmacology and molecular docking approaches were employed to investigate the anti-angiogenic potential of A. vulgaris<\/em>. Phytochemicals were retrieved from the IMPPAT database and screened for drug-likeness and toxicity. Potential targets were predicted and intersected with anti-angiogenesis-related genes. Protein-protein interaction analysis, pathway enrichment, and molecular docking were performed to identify key targets and ligand-protein interactions, followed by molecular dynamics simulations to evaluate the stability of selected complexes.<\/p>\n\n\n\n

Results<\/h3>\n\n\n\n

Twenty-eight compounds met ADME and toxicity criteria. Seventy-three overlapping targets associated with anti-angiogenesis were identified. Network analysis highlighted EGFR, AKT1, STAT3, HIF1A, CASP3, ESR1, PTGS2, BCL2L1, PPARG, and MMP9 as key hub genes. Pathway enrichment revealed significant involvement of the EGFR tyrosine kinase inhibitor resistance pathway. Molecular docking demonstrated stable interactions between selected phytochemicals and hub proteins, with the strongest binding observed for EGFR and AKT1 (up to -7.9 kcal\/mol). Furthermore, molecular dynamic simulation demonstrated a stable \u03b2-<\/em>caryophyllene\u2013EGFR complex, while Molecular Mechanics Generalized Born Surface Area (MM-GBSA) analysis revealed strong binding affinity (\u0394G_bind = \u221275.20 \u00b1 4.81 kcal\/mol) predominantly driven by hydrophobic interactions.<\/p>\n\n\n\n

Conclusion<\/h3>\n\n\n\n

Findings suggest that A. vulgaris<\/em> phytochemicals may exert anti-angiogenic effects through multi-target modulation of EGFR-associated signaling pathways. This study provides a mechanistic basis for further experimental validation and supports the therapeutic potential of A. vulgaris<\/em> in angiogenesis-related diseases.<\/p>\n\n\n\n

<\/p>\n\n\n\n

\n
Read more<\/a><\/div>\n<\/div>", "protected": false }, "excerpt": { "rendered": "

Authors: Sangam K\u2024C\u2024 a, Shankar Thapa b, Nisha Adhikari a, Dirgha Raj Joshi a a) School of Pharmacy, Karnali Academy […]<\/p>", "protected": false }, "author": 1, "featured_media": 5720, "comment_status": "open", "ping_status": "closed", "sticky": false, "template": "", "format": "standard", "meta": { "_uag_custom_page_level_css": "", "_monsterinsights_skip_tracking": false, "_uf_show_specific_survey": 0, "_uf_disable_surveys": false, "site-sidebar-layout": "default", "site-content-layout": "", "ast-site-content-layout": "default", "site-content-style": "default", "site-sidebar-style": "default", "ast-global-header-display": "", "ast-banner-title-visibility": "", "ast-main-header-display": "", "ast-hfb-above-header-display": "", "ast-hfb-below-header-display": "", "ast-hfb-mobile-header-display": "", "site-post-title": "", "ast-breadcrumbs-content": "", "ast-featured-img": "", "footer-sml-layout": "", "ast-disable-related-posts": "", "theme-transparent-header-meta": "", "adv-header-id-meta": "", "stick-header-meta": "", "header-above-stick-meta": "", "header-main-stick-meta": "", "header-below-stick-meta": "", "astra-migrate-meta-layouts": "set", "ast-page-background-enabled": "default", "ast-page-background-meta": { "desktop": { "background-color": "", "background-image": "", "background-repeat": "repeat", "background-position": "center center", "background-size": "auto", "background-attachment": "scroll", "background-type": "", "background-media": "", "overlay-type": "", "overlay-color": "", "overlay-opacity": "", "overlay-gradient": "" }, "tablet": { "background-color": "", "background-image": "", "background-repeat": "repeat", "background-position": "center center", "background-size": "auto", "background-attachment": "scroll", "background-type": "", "background-media": "", "overlay-type": "", "overlay-color": "", "overlay-opacity": "", "overlay-gradient": "" }, "mobile": { "background-color": "", "background-image": "", "background-repeat": "repeat", "background-position": "center center", "background-size": "auto", "background-attachment": "scroll", "background-type": "", "background-media": "", "overlay-type": "", "overlay-color": "", "overlay-opacity": "", "overlay-gradient": "" } }, "ast-content-background-meta": { "desktop": { "background-color": "var(--ast-global-color-5)", "background-image": "", "background-repeat": "repeat", "background-position": "center center", "background-size": "auto", "background-attachment": "scroll", "background-type": "", "background-media": "", "overlay-type": "", "overlay-color": "", "overlay-opacity": "", "overlay-gradient": "" }, "tablet": { "background-color": "var(--ast-global-color-5)", "background-image": "", "background-repeat": "repeat", "background-position": "center center", "background-size": "auto", "background-attachment": "scroll", "background-type": "", "background-media": "", "overlay-type": "", "overlay-color": "", "overlay-opacity": "", "overlay-gradient": "" }, "mobile": { "background-color": "var(--ast-global-color-5)", "background-image": "", "background-repeat": "repeat", "background-position": "center center", "background-size": "auto", "background-attachment": "scroll", "background-type": "", "background-media": "", "overlay-type": "", "overlay-color": "", "overlay-opacity": "", "overlay-gradient": "" } }, "page_builder": "", "footnotes": "" }, "categories": [ 166 ], "tags": [], "class_list": [ "post-5719", "post", "type-post", "status-publish", "format-standard", "has-post-thumbnail", "hentry", "category-dirgha-research-group-works" ], "aioseo_notices": [], "aioseo_head": "\n\t\n\t\n\t\n\t\n\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t