Investigative on the Molecular Mechanism of Licorice Flavonoids Anti-Melanoma by Network Pharmacology, 3D/2D-QSAR, Molecular Docking, and Molecular Dynamics Simulation

Synthesis, characterization and investigating the binding mechanism of novel coumarin derivatives with human serum albumin: Spectroscopic and computational approach

(2022) Edina H. Avdović et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and Biological Screening of New 4-Hydroxycoumarin Derivatives and Their Palladium(II) Complexes

(2021) Edina H. Avdović et al.   Oxidative Medicine and Cellular Longevity

Network Pharmacology Analysis and Experimental Pharmacology Study Explore the Mechanism of Gambogic Acid against Endometrial Cancer

(2021) Zhengxiang Xia et al.   ACS Omega

Discovery of N-amido-phenylsulfonamide derivatives as novel microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors

(2021) Misong Kim et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Predicting the Molecular Mechanism of “Angong Niuhuang Pills” in the Treatment of COVID-19 Based on Network Pharmacology

(2021) Peng-yu Chen et al.   Natural Product Communications

Study on the potential active components and molecular mechanism of Xiao Huoluo Pills in the treatment of cartilage degeneration of knee osteoarthritis based on bioinformatics analysis and molecular docking technology

(2021) Weijian Chen et al.   Journal of Orthopaedic Surgery and Research

Using Network Pharmacology and Molecular Docking to Explore the Mechanism of Shan Ci Gu (Cremastra appendiculata) Against Non-Small Cell Lung Cancer

(2021) Yan Wang et al.   Frontiers in Chemistry

2D-QSAR Modeling and Molecular Docking Studies on 1H-Pyrazole-1-carbothioamide Derivatives as EGFR Kinase Inhibitors

(2020) Tawassl T. H. Hajalsiddig et al.   ACS Omega

A comprehensive application: Molecular docking and network pharmacology for the prediction of bioactive constituents and elucidation of mechanisms of action in component-based Chinese medicine

(2020) Xinyi Jiao et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

A comprehensive review on tyrosinase inhibitors

(2019) Samaneh Zolghadri et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Isoliquiritigenin Induces Mitochondrial Dysfunction and Apoptosis by Inhibiting mitoNEET in a Reactive Oxygen Species-Dependent Manner in A375 Human Melanoma Cells

(2019) Xiao-Yu Chen et al.   Oxidative Medicine and Cellular Longevity

Bringing Molecular Dynamics Simulation Data into View

(2019) Peter W. Hildebrand et al.   TRENDS IN BIOCHEMICAL SCIENCES

Quantitative structure-activity relationship and molecular docking studies on human proteasome inhibitors for anticancer activity targeting NF-κB signaling pathway

(2019) Deepika Yadav et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Radiotherapy and immunotherapy promote tumoral lipid oxidation and ferroptosis via synergistic repression of SLC7A11

(2019) Xueting Lang et al.   Cancer Discovery

Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors

(2018) Mariana P. Barcellos et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine database

(2018) Hongwei Gao   PHYTOMEDICINE

Identifying hQC Inhibitors of Alzheimer’s Disease by Effective Customized Pharmacophore-Based Virtual Screening, Molecular Dynamic Simulation, and Binding Free Energy Analysis

(2018) Weicong Lin et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Photodynamic Therapy for Metastatic Melanoma Treatment: A Review

(2018) Channay Naidoo et al.   TECHNOLOGY IN CANCER RESEARCH & TREATMENT

Understanding the Role of Extracts from Sea Buckthorn Seed Residues in anti-melanogenesis properties on B16F10 melanoma cells

(2018) Jiachan Zhang et al.   Food & Function

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors

(2018) Alexey A. Lagunin et al.   Frontiers in Pharmacology

Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations

(2017) Shalini Saxena et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The rational search for PDE10A inhibitors from Sophora�flavescens roots using pharmacophore‑ and docking‑based virtual screening

(2017) Han‑Tian Fan et al.   Molecular Medicine Reports

Natural Compound Licochalcone B Induced Extrinsic and Intrinsic Apoptosis in Human Skin Melanoma (A375) and Squamous Cell Carcinoma (A431) Cells

(2017) Tae-Ho Kang et al.   PHYTOTHERAPY RESEARCH

Docking Based 3D-QSAR Study of Tricyclic Guanidine Analogues of Batzelladine K As Anti-Malarial Agents

(2017) Nafees Ahmed et al.   Frontiers in Chemistry

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

(2016) Vinicius M. Alves et al.   GREEN CHEMISTRY

Licochalcone B induces apoptosis of human oral squamous cell carcinoma through the extrinsic- and intrinsic-signaling pathways

(2016) HANA OH et al.   INTERNATIONAL JOURNAL OF ONCOLOGY

Discovery of potential novel microsomal triglyceride transfer protein inhibitors via virtual screening of pharmacophore modelling and molecular docking

(2016) Ludi Jiang et al.   MOLECULAR SIMULATION

Isoliquiritigenin Inhibits Proliferation and Induces Apoptosis via Alleviating Hypoxia and Reducing Glycolysis in Mouse Melanoma B16F10 Cells

(2016) Yanming Wang et al.   Recent Patents on Anti-Cancer Drug Discovery

Synthesis of novel flavone hydrazones: In-vitro evaluation of α-glucosidase inhibition, QSAR analysis and docking studies

(2015) Syahrul Imran et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Quantitative structure–activity relationship: promising advances in drug discovery platforms

(2015) Tao Wang et al.   Expert Opinion on Drug Discovery

Role of transcription factor Sp1 in the 4-O-methylhonokiol-mediated apoptotic effect on oral squamous cancer cells and xenograft

(2015) Jin Hyoung Cho et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Licochalcone B inhibits growth of bladder cancer cells by arresting cell cycle progression and inducing apoptosis

(2014) Xuan Yuan et al.   FOOD AND CHEMICAL TOXICOLOGY

Targeting autophagy as a potential therapeutic approach for melanoma therapy

(2013) He Liu et al.   SEMINARS IN CANCER BIOLOGY

Tyrosinase Activated Melanoma Prodrugs

(2012) Samaila Jawaid et al.   Anti-Cancer Agents in Medicinal Chemistry

Pharmacophore modeling and virtual screening for designing potential PLK1 inhibitors

(2008) Hui-Yuan Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS