BioMed Research International

Network Pharmacology and Molecular Docking for Drug Discovery 2022


Publishing date
01 Feb 2023
Status
Published
Submission deadline
30 Sep 2022

Lead Editor

1Jiangxi Agricultural University, Nanchang, China

2Cholistan University of Veterinary and Animal Sciences, Bahawalpur, Pakistan

3Universidad Nacional Mayor de San Marcos, Lima, Peru

4Maharishi Markandeshwar University, Sadopur-Ambala, India


Network Pharmacology and Molecular Docking for Drug Discovery 2022

Description

The network pharmacology approach is a relatively new method that was first proposed in 2014. Because it provides a more complete understanding of network theory and systems biology, it has been considered the next paradigm in drug discovery. Molecular docking is a method that analyses the conformation and orientation of molecules into the binding site of a macromolecular target. Network pharmacology and molecular docking have been successfully used in plant drugs, marine drugs, and antibiotics drug discovery. In recent years, along with the generalization of systems biology, the combination of network pharmacology and molecular docking technology has been used to understand active food ingredients and the mechanisms of Traditional Chinese medicine.

The network pharmacology approach is used to study the pathways of compounds, proteins, or genes. It can describe the complexities within biological systems, drugs, and diseases from a network perspective, sharing a similar holistic philosophy as Traditional Chinese medicine. Molecular docking is used to predict the docking sites of active ingredients and key targets derived from network pharmacology. Therefore, network pharmacology and molecular docking effectively bridge the gap between western medicine and traditional medicine and greatly facilitates mechanistic studies on the synergistic actions of Traditional Chinese medicine. Compared with traditional methods, network pharmacology and molecular docking have many advantages, but there are still many problems in practical applications. For example, network pharmacology could abstractly express the interaction relationship of TCM in treating diseases in the form of a network. The interaction relationship still needs further verification in vivo or in vitro. At present, the database of network pharmacology is not perfect, which affects the reliability of experimental results to a certain extent.

The aim of this Special Issue is to bring together original research and review articles discussing pharmacology and molecular docking technology to clarify the mechanism of food, drug, and TCM. We welcome submissions discussing the application of network pharmacology and molecular docking for plant marine antibiotics drugs. Submissions should include advanced theories and methods.

Potential topics include but are not limited to the following:

  • Network pharmacology and molecular docking for understanding the mechanisms of Traditional Chinese medicine
  • Network pharmacology and molecular docking for understanding the mechanisms of active food ingredients
  • Network pharmacology and molecular docking for plant drug discovery
  • Network pharmacology and molecular docking for marine drug discovery
  • Network pharmacology and molecular docking for antibiotics and drug discovery

Articles

  • Special Issue
  • - Volume 2024
  • - Article ID 9832459
  • - Retraction

Retracted: Multifunctional Drug-Loaded Phase-Change Nanoparticles Inhibit the Epithelial-Mesenchymal Transition of Hepatocellular Carcinoma by Affecting the Activity of Activated Hepatic Stellate Cells

BioMed Research International
  • Special Issue
  • - Volume 2024
  • - Article ID 9784781
  • - Retraction

Retracted: MSN@IL-4 Sustainingly Mediates Macrophagocyte M2 Polarization and Relieves Osteoblast Damage via NF-κB Pathway-Associated Apoptosis

BioMed Research International
  • Special Issue
  • - Volume 2024
  • - Article ID 9854052
  • - Retraction

Retracted: Network Pharmacology-Integrated Molecular Docking Reveals the Expected Anticancer Mechanism of Picrorhizae Rhizoma Extract

BioMed Research International
  • Special Issue
  • - Volume 2023
  • - Article ID 9875202
  • - Retraction

Retracted: PRP from Personal Blood Relieves Joint Fluid-Inducing Synovial Injury through NF-κB Pathway and Mitochondrial Apoptosis in Human Synovial Fibroblast Cells

BioMed Research International
  • Special Issue
  • - Volume 2023
  • - Article ID 5956154
  • - Research Article

Antiangiogenic Potential of Troxerutin and Chitosan Loaded Troxerutin on Chorioallantoic Membrane Model

Gowtham Kumar Subbaraj | Harini Elangovan | ... | Senthilkumar Subramanian
  • Special Issue
  • - Volume 2023
  • - Article ID 9298728
  • - Research Article

Investigation on the Mechanisms of Zanthoxylum bungeanum for Treating Diabetes Mellitus Based on Network Pharmacology, Molecular Docking, and Experiment Verification

Yuanshe Huang | Zhaomiao Gong | ... | Jingxin Mao
  • Special Issue
  • - Volume 2023
  • - Article ID 6183551
  • - Research Article

Huoxiang Zhengqi Oral Liquid Attenuates LPS-Induced Acute Lung Injury by Modulating Short-Chain Fatty Acid Levels and TLR4/NF-κB p65 Pathway

Ruying Tang | Jianjun Zhang | ... | Linyuan Wang
  • Special Issue
  • - Volume 2023
  • - Article ID 6407588
  • - Research Article

The Effect of Citrus aurantium on Non-Small-Cell Lung Cancer: A Research Based on Network and Experimental Pharmacology

Liangliang Yao | Xuan Zhang | ... | Chunpeng (Craig) Wan
  • Special Issue
  • - Volume 2022
  • - Article ID 6441179
  • - Research Article

[Retracted] Multifunctional Drug-Loaded Phase-Change Nanoparticles Inhibit the Epithelial-Mesenchymal Transition of Hepatocellular Carcinoma by Affecting the Activity of Activated Hepatic Stellate Cells

Xiaomeng Zou | Tiantian Li | ... | Xiuhua Yang
  • Special Issue
  • - Volume 2022
  • - Article ID 4496949
  • - Research Article

[Retracted] PRP from Personal Blood Relieves Joint Fluid-Inducing Synovial Injury through NF-κB Pathway and Mitochondrial Apoptosis in Human Synovial Fibroblast Cells

Li Xie | Wanchang Lin | ... | Wenliang Zhai
BioMed Research International
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Acceptance rate8%
Submission to final decision128 days
Acceptance to publication21 days
CiteScore5.300
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