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8,207 Results Found

  • Article
  • Open Access
15 Citations
3,975 Views
18 Pages

Molecular Networking, Network Pharmacology, and Molecular Docking Approaches Employed to Investigate the Changes in Ephedrae Herba before and after Honey-Processing

  • Hengyang Li,
  • Long Guo,
  • Xiaoying Ding,
  • Qi An,
  • Lei Wang,
  • Shenghui Hao,
  • Wenjie Li,
  • Tao Wang,
  • Zetong Gao and
  • Yuguang Zheng
  • + 1 author

23 June 2022

Raw Ephedrae herba (REH) and honey-processed Ephedrae herba (HEH) were the different decoction pieces of Ephedrae herba (EH). Honey-processing that changes REH into HEH has been shown to relieve cough and asthma to a synergistic extent. However, the...

  • Article
  • Open Access
30 Citations
7,814 Views
14 Pages

Hypertension is a cardiovascular disease that causes great harm to health and life, affecting the function of important organs and accompanied by a variety of secondary diseases, which need to be treated with drugs for a long time. P. ternata alone o...

  • Review
  • Open Access
1,382 Views
21 Pages

26 September 2025

Acacetin, a naturally occurring flavonoid, has attracted increasing attention due to its broad anticancer potential. In vitro and in vivo studies using diverse tumor models have demonstrated that acacetin modulates oncogenic signaling, suppresses ang...

  • Article
  • Open Access
2 Citations
1,673 Views
12 Pages

24 August 2025

This study investigated the molecular mechanisms by which phthalates induce depression, utilizing network toxicology and molecular docking techniques. By integrating the TargetNet, GeneCards, and PharmMapper databases, 658 potential target genes of p...

  • Review
  • Open Access
15 Citations
4,260 Views
24 Pages

Exploring the Molecular Terrain: A Survey of Analytical Methods for Biological Network Analysis

  • Trong-The Nguyen,
  • Thi-Kien Dao,
  • Duc-Tinh Pham and
  • Thi-Hoan Duong

10 April 2024

Biological systems, characterized by their complex interplay of symmetry and asymmetry, operate through intricate networks of interacting molecules, weaving the elaborate tapestry of life. The exploration of these networks, aptly termed the “mo...

  • Article
  • Open Access
69 Citations
8,670 Views
24 Pages

The use of deer antlers dates back thousands of years in Chinese history. Deer antlers have antitumor, anti-inflammatory, and immunomodulatory properties and can be used in treating neurological diseases. However, only a few studies have reported the...

  • Article
  • Open Access

Molecular Investigation of Product Nkabinde in HIV Therapy: A Network Pharmacology and Molecular Docking Approach

  • Samuel Chima Ugbaja,
  • Mlungisi Ngcobo,
  • Siphathimandla Authority Nkabinde,
  • Magugu Nkabinde and
  • Nceba Gqaleni

HIV/AIDS continues to pose a significant global public health concern, with Sub-Saharan Africa having the highest number of people living with HIV (PLHIV). Traditional medicines have been increasingly essential in treating and managing PLHIV. Product...

  • Article
  • Open Access
8 Citations
5,062 Views
24 Pages

31 July 2024

Background: Resveratrol is a potent phytochemical known for its potential in treating cardiometabolic multimorbidity. However, its underlying mechanisms remain unclear. Our study systematically investigates the effects of resveratrol on cardiometabol...

  • Article
  • Open Access
5 Citations
4,157 Views
17 Pages

18 January 2019

Molecular communications provide an attractive opportunity to precisely regulate biological signaling in nano-medicine applications of body area networks. In this paper, we utilize molecular communication tools to interpret how neural signals are gen...

  • Perspective
  • Open Access
7 Citations
3,467 Views
25 Pages

Case Studies in Molecular Network-Guided Marine Biodiscovery

  • Shamsunnahar Khushi,
  • Angela A. Salim and
  • Robert J. Capon

20 July 2023

In reviewing a selection of recent case studies from our laboratory, we revealed some lessons learned and benefits accrued from the application of mass spectrometry (MS/MS) molecular networking in the field of marine sponge natural products. Molecula...

  • Article
  • Open Access
13 Citations
4,821 Views
32 Pages

Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation to Elucidate the Molecular Targets and Potential Mechanism of Phoenix dactylifera (Ajwa Dates) against Candidiasis

  • Mohd Adnan,
  • Arif Jamal Siddiqui,
  • Syed Amir Ashraf,
  • Fevzi Bardakci,
  • Mousa Alreshidi,
  • Riadh Badraoui,
  • Emira Noumi,
  • Bektas Tepe,
  • Manojkumar Sachidanandan and
  • Mitesh Patel

18 November 2023

Candidiasis, caused by opportunistic fungal pathogens of the Candida genus, poses a significant threat to immunocompromised individuals. Natural compounds derived from medicinal plants have gained attention as potential sources of anti-fungal agents....

  • Article
  • Open Access
724 Views
16 Pages

31 October 2025

This study integrates network toxicology with molecular docking technology to systematically elucidate the key molecular mechanisms and signaling pathways by which bisphenol A (BPA) induces obesity. By cross-referencing multiple databases—inclu...

  • Article
  • Open Access
11 Citations
4,342 Views
17 Pages

Molecular Mechanisms of Cassia fistula against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches

  • Aqsa Kanwal,
  • Farrukh Azeem,
  • Habibullah Nadeem,
  • Usman Ali Ashfaq,
  • Rana Muhammad Aadil,
  • A. K. M. Humayun Kober,
  • Muhammad Shahid Riaz Rajoka and
  • Ijaz Rasul

Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. Cassia fistula is popular for its anti-inflammatory and anticarcinogenic properties in conventional medicat...

  • Article
  • Open Access
2 Citations
3,306 Views
38 Pages

10 September 2025

Network pharmacology, molecular docking, and molecular dynamics (MD) studies were used to investigate the molecular targets and mechanisms of action of Melissa officinalis phytoconstituents in type-2 diabetes mellitus (T2DM). SciFinder was used to re...

  • Article
  • Open Access
20 Citations
3,145 Views
15 Pages

Molecular Network-Based Identification of Tramadol Metabolites in a Fatal Tramadol Poisoning

  • Romain Magny,
  • Nicolas Auzeil,
  • Bertrand Lefrère,
  • Bruno Mégarbane,
  • Pascal Houzé and
  • Laurence Labat

Identification of xenobiotics and their phase I/II metabolites in poisoned patients remains challenging. Systematic approaches using bioinformatic tools are needed to detect all compounds as exhaustively as possible. Here, we aimed to assess an analy...

  • Review
  • Open Access
7 Citations
4,682 Views
25 Pages

20 September 2024

The study aims to investigate the effects of curcumin on radiation/chemotherapy-induced oral mucositis (R/CIOM) and preliminarily explore its mechanism. Randomized controlled trials were identified from the PubMed, Embase, Web of Science, Cochrane Li...

  • Article
  • Open Access
8 Citations
6,936 Views
26 Pages

Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation Analysis Reveal Insights into the Molecular Mechanism of Cordia myxa in the Treatment of Liver Cancer

  • Li Li,
  • Alaulddin Hazim Mohammed,
  • Nazar Aziz Auda,
  • Sarah Mohammed Saeed Alsallameh,
  • Norah A. Albekairi,
  • Ziyad Tariq Muhseen and
  • Christopher J. Butch

Traditional treatments of cancer have faced various challenges, including toxicity, medication resistance, and financial burdens. On the other hand, bioactive phytochemicals employed in complementary alternative medicine have recently gained interest...

  • Article
  • Open Access
37 Citations
7,729 Views
15 Pages

The Potential Mechanisms of Catechins in Tea for Anti-Hypertension: An Integration of Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

  • Yanming Tuo,
  • Xiaofeng Lu,
  • Fang Tao,
  • Marat Tukhvatshin,
  • Fumin Xiang,
  • Xi Wang,
  • Yutao Shi,
  • Jinke Lin and
  • Yunfei Hu

26 August 2024

Catechins, a class of polyphenolic compounds found in tea, have attracted significant attention due to their numerous health benefits, particularly for the treatment and protection of hypertension. However, the potential targets and mechanisms of act...

  • Article
  • Open Access
16 Citations
4,977 Views
20 Pages

28 July 2019

Achieving cancer prognosis and molecular typing is critical for cancer treatment. Previous studies have identified some gene signatures for the prognosis and typing of cancer based on gene expression data. Some studies have shown that DNA methylation...

  • Article
  • Open Access
1,100 Views
22 Pages

30 August 2025

Dyspepsia or indigestion is known to be a symptom of several gastrointestinal issues including gastroesophageal reflux disease (GERD) and gastric cancer. With the ever-increasing popularity of traditional herbal medicines, the research selected rosem...

  • Article
  • Open Access
27 Citations
6,077 Views
17 Pages

10 February 2023

Scutellaria baicalensis is often used to treat breast cancer, but the molecular mechanism behind the action is unclear. In this study, network pharmacology, molecular docking, and molecular dynamics simulation are combined to reveal the most active c...

  • Article
  • Open Access
2 Citations
2,547 Views
21 Pages

11 September 2024

Background: JianPiYiFei (JPYF) II granules are a Chinese medicine for the treatment of chronic obstructive pulmonary disease (COPD). However, the main components and underlying mechanisms of JPYF II granules are not well understood. This study aimed...

  • Article
  • Open Access
2 Citations
2,744 Views
15 Pages

28 July 2022

Background: Qianghuo Shengshi decoction (QHSSD), a traditional Chinese medicine formula, is used to treat ankylosing spondylitis (AS) in China. The pharmacological mechanism of QHSSD for AS remains to be clarified. In this study, we investigated the...

  • Article
  • Open Access
1,096 Views
20 Pages

10 October 2025

Distinct PAEs are implicated in breast cancer progression through multiple molecular pathways. This study aims to elucidate the potential mechanisms in common by which PAEs promote breast cancer progression. Dibutyl phthalate (DBP), benzyl butyl phth...

  • Article
  • Open Access
6 Citations
3,099 Views
15 Pages

15 November 2023

It has been reported that Mori Folium (MF) and Eucommiae Cortex (EC) exhibit pharmacological effects in the treatment of immunosuppression. However, the mechanism of MF and EC against immunosuppression remains unclear. This study aims to explore the...

  • Article
  • Open Access
9 Citations
3,727 Views
27 Pages

Computational Network Pharmacology, Molecular Docking, and Molecular Dynamics to Decipher Natural Compounds of Alchornea laxiflora for Liver Cancer Chemotherapy

  • Nem Kumar Jain,
  • Balakumar Chandrasekaran,
  • Nasha’t Khazaleh,
  • Hemant Kumar Jain,
  • Moti Lal,
  • Gaurav Joshi and
  • Vibhu Jha

31 March 2025

Background: Alchornea laxiflora (Benth.) Pax & K. Hoffm. (A. laxiflora) is utilized as a traditional herb for treating several diseases. Objective: Our study aims to identify the active phytochemical candidates from A. laxiflora and analyses...

  • Article
  • Open Access
9 Citations
3,534 Views
18 Pages

13 November 2022

Background: A new viral outbreak caused by monkeypox has appeared after COVID-19. As of yet, no specific drug has been found for its treatment. Shengma-Gegen decoction (SMGGD), a pathogen-eliminating and detoxifying agent composed of four kinds of Ch...

  • Article
  • Open Access
6 Citations
3,403 Views
19 Pages

Taxanes are natural compounds for the treatment of lung cancer, but the molecular mechanism behind the effects is unclear. In the present study, through network pharmacology and molecular docking, the mechanism of the target and pathway of taxanes in...

  • Article
  • Open Access
2 Citations
3,101 Views
18 Pages

1 September 2022

Carthamus tinctorius L. (Honghua, HH) is an herbal medicine and functional food widely used to treat chronic liver diseases, including liver fibrosis. By using network pharmacology and molecular docking experiments, the present study aims to determin...

  • Article
  • Open Access
3 Citations
4,643 Views
23 Pages

5 January 2024

Background: Pulmonary arterial hypertension (PAH) is a serious disease characterized by increased pressure in the pulmonary arteries, which can lead to heart failure and death. Chlorogenic acid (CGA) is a natural compound present in several foods and...

  • Article
  • Open Access
3 Citations
1,958 Views
17 Pages

Isoliquiritigenin (ISL) is a type of chalcone that widely exists in medicinal plants of the Leguminosae family and exhibits a remarkable anti-ischemic stroke (IS) effect. However, the anti-IS mechanisms of ISL remain to be systematically elucidated....

  • Article
  • Open Access
341 Views
28 Pages

Aspartame, a widely used artificial sweetener, has been linked to various cancers, including kidney renal papillary cell carcinoma (KIRP). However, the molecular mechanisms underlying this association remain unclear. This study employed network toxic...

  • Article
  • Open Access
1,190 Views
25 Pages

Repurposing Nirmatrelvir for Hepatocellular Carcinoma: Network Pharmacology and Molecular Dynamics Simulations Identify HDAC3 as a Key Molecular Target

  • Muhammad Suleman,
  • Hira Arbab,
  • Hadi M. Yassine,
  • Abrar Mohammad Sayaf,
  • Usama Ilahi,
  • Mohammed Alissa,
  • Abdullah Alghamdi,
  • Suad A. Alghamdi,
  • Sergio Crovella and
  • Abdullah A. Shaito

31 July 2025

Background: Hepatocellular carcinoma (HCC) is one of the most common and fatal malignancies worldwide, characterized by remarkable molecular heterogeneity and poor clinical outcomes. Despite advancements in diagnosis and treatment, the prognosis for...

  • Article
  • Open Access
3 Citations
3,189 Views
15 Pages

Background: Pulmonary hypertension (PH) is a complex disease caused by a wide range of underlying conditions, Tanshinone IIA (Tan IIA) has been widely used in PH patients. The study aimed to explore the possible molecular mechanism of Tan IIA against...

  • Review
  • Open Access
5 Citations
3,191 Views
24 Pages

Deciphering the Basis of Molecular Biology of Selected Cardiovascular Diseases: A View on Network Medicine

  • Noora Alhajri,
  • Mohammad Rustom,
  • Adedayo Adegbile,
  • Weshah Ahmed,
  • Salsabeel Kilidar and
  • Nariman Afify

28 September 2022

Cardiovascular diseases are the leading cause of death across the world. For decades, researchers have been studying the causes of cardiovascular disease, yet many of them remain undiscovered or poorly understood. Network medicine is a recently expan...

  • Article
  • Open Access
1 Citations
2,003 Views
17 Pages

Revealing Lingonberry’s Neuroprotective Potential in Alzheimer’s Disease Through Network Pharmacology and Molecular Docking

  • Juncheng Li,
  • Mian Wang,
  • Yi Wang,
  • Xichen Peng,
  • Guixiang Lv,
  • Tianhu Zheng,
  • Yahui Peng and
  • Jihong Li

Alzheimer’s disease is a progressive neurodegenerative disorder with limited treatment options. Lingonberry (Vaccinium vitis-idaea L.) has demonstrated neuroprotective and anti-inflammatory properties, yet the underlying mechanisms remain uncle...

  • Article
  • Open Access
12 Citations
3,116 Views
19 Pages

25 April 2023

Forsythia fruit, edible fruit of Forsythia suspensa (Thunb.) Vahl, which has been found to be effective in treating cholestasis. However, its key component for alleviating cholestasis has not been determined. In this study, four representative active...

  • Article
  • Open Access
3 Citations
2,048 Views
27 Pages

Breast cancer remains a leading cause of malignancy-related mortality among women, with rising global incidence. While surgical intervention is effective for early-stage breast cancer, drug therapy is indispensable, particularly for triple-negative b...

  • Article
  • Open Access
8 Citations
2,742 Views
17 Pages

28 December 2024

Background: Alpiniae oxyphyllae Fructus (AOF) is a medicinal and edible resource that holds potential to ameliorate hyperuricemia (HUA), yet its mechanism of action warrants further investigation. Methods: We performed network pharmacology, molecular...

  • Article
  • Open Access
5 Citations
2,033 Views
21 Pages

The objective of this study is to identify the active components of Crocus alatavicus and potential targets through a combination of network pharmacology, molecular docking technology combined with molecular dynamics simulation, and binding free ener...

  • Article
  • Open Access
3 Citations
2,176 Views
27 Pages

18 September 2024

(1) Background: Diabetic retinopathy (DR) is a major complication of diabetes, marked by abnormal angiogenesis, microaneurysms, and retinal hemorrhages. Traditional Ayurvedic medicine advocates multi-target strategies for DR management. However, the...

  • Article
  • Open Access
9 Citations
3,010 Views
21 Pages

18 June 2024

Physical fatigue (peripheral fatigue), which affects a considerable portion of the world population, is a decline in the ability of muscle fibers to contract effectively due to alterations in the regulatory processes of muscle action potentials. Howe...

  • Article
  • Open Access
1 Citations
2,116 Views
16 Pages

26 July 2024

Breast cancer heterogeneity presents a significant challenge in clinical therapy, such as over-treatment and drug resistance. These challenges are largely due to its obscure normal epithelial origins, evolutionary stability, and transitions on the ca...

  • Article
  • Open Access
3 Citations
3,523 Views
29 Pages

Dapagliflozin in Chronic Kidney Disease: Insights from Network Pharmacology and Molecular Docking Simulation

  • Atthaphong Phongphithakchai,
  • Aman Tedasen,
  • Ratana Netphakdee,
  • Rattana Leelawattana,
  • Thatsaphan Srithongkul,
  • Sukit Raksasuk,
  • Jason C. Huang and
  • Moragot Chatatikun

11 March 2025

Chronic kidney disease (CKD) involves inflammation, oxidative stress, and fibrosis, leading to renal dysfunction. Dapagliflozin, an SGLT2 inhibitor, shows renoprotective effects beyond glucose control, but its precise molecular mechanisms remain uncl...

  • Review
  • Open Access
22 Citations
5,319 Views
17 Pages

Molecular Network for Regulation of Ovule Number in Plants

  • Muslim Qadir,
  • Xinfa Wang,
  • Syed Rehmat Ullah Shah,
  • Xue-Rong Zhou,
  • Jiaqin Shi and
  • Hanzhong Wang

30 November 2021

In seed-bearing plants, the ovule (“small egg”) is the organ within the gynoecium that develops into a seed after fertilization. The gynoecium located in the inner compartment of the flower turns into a fruit. The number of ovules in the...

  • Article
  • Open Access
24 Citations
5,270 Views
21 Pages

Molecular Network Profiling in Intestinal- and Diffuse-Type Gastric Cancer

  • Shihori Tanabe,
  • Sabina Quader,
  • Ryuichi Ono,
  • Horacio Cabral,
  • Kazuhiko Aoyagi,
  • Akihiko Hirose,
  • Hiroshi Yokozaki and
  • Hiroki Sasaki

18 December 2020

Epithelial-mesenchymal transition (EMT) plays an important role in the acquisition of cancer stem cell (CSC) feature and drug resistance, which are the main hallmarks of cancer malignancy. Although previous findings have shown that several signaling...

  • Article
  • Open Access
4 Citations
2,142 Views
23 Pages

5 August 2025

This study explores how aristolochic acid I (AAI) drives hepatocellular carcinoma (HCC). We first employ network toxicology and machine learning to map the key molecular target genes. Next, our research utilizes molecular docking to evaluate how AAI...

  • Feature Paper
  • Article
  • Open Access
7 Citations
4,756 Views
9 Pages

9 September 2021

(1) Background: Re-emerging influenza threats continue to challenge medical and public health systems. Quercetin is a ubiquitous flavonoid found in food and is recognized to possess antioxidant, anti-inflammatory, antiviral, and anticancer activities...

  • Article
  • Open Access
4 Citations
4,486 Views
15 Pages

21 September 2022

Objective: To investigate the molecular mechanism and simulated validation of Zhi Bai Di Huang Pill (ZBDHP) for the treatment of systemic lupus erythematosus (SLE) using network pharmacology and molecular docking techniques. Methods: The active ingre...

  • Article
  • Open Access
1 Citations
1,752 Views
32 Pages

7 September 2025

This study aimed to investigate the molecular binding mechanisms of bromocriptine toward histamine-associated targets, exploring both antagonist-like and other potential interaction modes that may support therapeutic repurposing. Network pharmacology...

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