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Synthesis, Molecular Modeling and Biological Evaluation of Novel Trifluoromethyl Benzamides as Promising CETP Inhibitors
Abu Khalaf R., Abusaad A., Al-Nawaiseh B., Sabbah D., Albadawi G.
Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis
Lian X., Fan K., Qin X., Liu Y.
Computer-aided Design of Wide-spectrum Coronavirus Helicase NSP13 Cage Inhibitors: A Molecular Modelling Approach
Shiryaev V., Klimochkin Y.
Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights from Computational Screening of BACE1 and GSK-3β
Sai Varshini M., Aishwarya Reddy R., Thaggikuppe Krishnamurthy P., Selvaraj D.
Molecular Docking and Molecular Dynamics Simulation of New Potential JAK3 Inhibitors
Zhong Q., Qin J., Zhao K., Guo L., Li D.
The Potential Roles of Ficus carica Extract in the Management of COVID-19 Viral Infections: A Computer-aided Drug Design Study
Hamed M., Khalifa M., El Hassab M., Abourehab M., Al Kamaly O., Alanazi A., Eldehna W., Mansour F.
Exploring the Potential Molecular Mechanism of the Shugan Jieyu Capsule in the Treatment of Depression through Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
Liu Z., Huang H., Yu Y., Jia Y., Li L., Shi X., Wang F.
Design, In silico Screening, Synthesis, Characterisation and DFT-based Electronic Properties of Dihydropyridine-based Molecule as L-type Calcium Channel Blocker
Karmakar S., Basak H., Paswan U., Saha S., Mandal S., Chatterjee A.
Exploring the Molecular Mechanism of Niuxi-Mugua Formula in Treating Coronavirus Disease 2019 via Network Pharmacology, Computational Biology, and Surface Plasmon Resonance Verification
Wang W., Cao X., Cao Y., Liu L., Zhang S., Qi W., Zhang J., Yang X., Li X., Zao X., Ye Y.
Virtual Screening of Flavonoids against Plasmodium vivax Duffy Binding Protein Utilizing Molecular Docking and Molecular Dynamic Simulation
Yasir M., Park J., Han E., Park W.S., Han J., Kwon Y., Lee H., Chun W.
Mechanism of Polygala-Acorus in Treating Autism Spectrum Disorder Based on Network Pharmacology and Molecular Docking
Chen H., Zhou C., Li W., Bian Y.
In silico Exploration of a Novel ICMT Inhibitor with More Solubility than Cysmethynil against Membrane Localization of KRAS Mutant in Colorectal Cancer
Mouhcine M., Kadil Y., Segmani I., Rahmoune I., Filali H.
Predicting the Mechanism of Tiannanxing-shengjiang Drug Pair in Treating Pain Using Network Pharmacology and Molecular Docking Technology
Wang B., Wang Y., Mao P., Zhang Y., Li Y., Liu X., Fan B.
Investigation on the Anticancer Activity of [6]-Gingerol of Zingiber officinale and its Structural Analogs against Skin Cancer
Adikesavan M., Athiraja P., Divakar M.
Computational Insight into the Mechanism of Action of DNA Gyrase Inhibitors; Revealing a New Mechanism
Muhammed M., Aki-Yalcin E.
Network Pharmacology Study to Reveal the Mechanism of Zuogui Pill for Treating Osteoporosis
Wang G., Li H., Zhao H., Liu D., Chu S., Lee M., Fang Z.
To Explore the Mechanism of Maiwei Dihuang Decoction in the Treatment of Non-small Cell Lung Cancer based on Network Pharmacology Combined with LC-MS
Jiang T., Lu Y., Yang W., Xu J., Zhu M., Huang Y., Bao F., Zheng S., Li Y.
In silico Identification of Potential Inhibitors against Staphylococcus aureus Tyrosyl-tRNA Synthetase
Monobe K., Taniguchi H., Aoki S.
Potential Aromatase Inhibitors from Centella asiatica with Non-synonymous SNPS - A Computational Approach
Temkar S., Sridhara A., Mallur D., Shivaprakash D., Iyengar D., Das N., C B.
Evaluation of the Mechanism of Sinomenii Caulis in Treating Ulcerative Colitis based on Network Pharmacology and Molecular Docking
Tian J., Yang C., Wang Y., Zhou C.
Application of Network Pharmacology and Molecular Docking to Explore the Mechanism of Danggui Liuhuang Tang against Hyperthyroidism
Song D., Yang B., Bao W., Wang J.
In-silico Investigation of Ginseng Phytoconstituents as Novel Therapeutics Against MAO-A
Choudhary D., Kaur R., Rani N., Singh T., Kumar B.
Docking, Synthesis, and In vitro Anti-depressant Activity of Certain Isatin Derivatives
Muthukumaran T., K A., M Saleshier F.
Exploring the Molecular Mechanism of HongTeng Decoction against Inflammation based on Network Analysis and Experiments Validation
Yang Y., Bi C., Li B., Li Y., Song Y., Zhang M., Peng L., Fan D., Duan R., Li Z.
Exploring the Mechanisms of Self-made Kuiyu Pingchang Recipe for the Treatment of Ulcerative Colitis and Irritable Bowel Syndrome using a Network Pharmacology-based Approach and Molecular Docking
Wen Y., Wang X., Si K., Xu L., Huang S., Zhan Y.
Research of Active Compounds from Allii Macrostemonis Bulbus and Potential Targets against Non-Hodgkin’s Lymphoma Based on Network Pharmacology
Qiu X., Zhao Q., Qiu H., Cheng Y., Liu W., Yang L.
Molecular Modelling of Resveratrol Derivatives with SIRT1 for the Stimulation of Deacetylase Activity
Zamani M., Mokarram P., Jamshidi M., Siri M., Ghasemi H.
In-silico Assessment of Polyherbal Oils as Anti-diabetic Therapeutics
Bahl A., Verma V., Prajapati V., Bhatia J., Arya D.
Network Pharmacology-based and Molecular Docking Combined with GEO Gene Chips to Investigate the Potential Mechanism of Duhuo Jisheng Decoction against Rheumatoid Arthritis
Yang Z., Yuan Z., Ma X.
DFT, Molecular Docking, Bioactivity and ADME Analyses of Vic-dioxim Ligand Containing Hydrazone Group and its Zn(II) Complex
Gökçe Çalişkan Ş.
Network Pharmacology and Intestinal Microbiota Analysis Revealing the Mechanism of Punicalagin Improving Bacterial Enteritis
Huang S., Wang Y., Zhu Q., Guo H., Hong Z., Zhong S.
Deciphering the Underlying Mechanisms of Sanleng-Ezhu for the Treatment of Idiopathic Pulmonary Fibrosis Based on Network Pharmacology and Single-cell RNA Sequencing Data
Zhou X., Tan F., Zhang S., Zhang T.
Optimizing the Extraction of Polyphenols from the Bark of Terminalia arjuna and an In-silico Investigation on its Activity in Colorectal Cancer
Adhikary T., Basak P.
Research on the Regulatory Mechanism of Ginseng on the Tumor Microenvironment of Colorectal Cancer based on Network Pharmacology and Bioinformatics Validation
Wang T., Zhang W., Fang C., Wang N., Zhuang Y., Gao S.
A Computational Investigation on Chitosan Derivatives using Pharmacophore- based Screening, Molecular Docking, and Molecular Dynamics Simulations against Kaposi Sarcoma
Sakthivel K., Ganapathy P., Chandrasekaran K., Subbaraj G., Kulanthaivel L.
Graph Convolutional Capsule Regression (GCCR): A Model for Accelerated Filtering of Novel Potential Candidates for SARS-CoV-2 based on Binding Affinity
Krishnan A., Vinod D.
Network Pharmacology, Molecular Docking and Experimental Verification Revealing the Mechanism of Fule Cream against Childhood Atopic Dermatitis
Liu C., Liu Y., Liu Y., Guan J., Gao Y., Ou L., Qi Y., Lv X., Zhang J.
Molecular Mechanism and Structure-activity Relationship of the Inhibition Effect between Monoamine Oxidase and Selegiline Analogues
Yang C., Wang X., Gao C., Liu Y., Ma Z., Zang J., Wang H., Liu L., Liu Y., Sun H., Wang W.
Synthesis and in-silico Studies of 4-phenyl thiazol-2-amine Derivatives as Putative Anti-breast Cancer Agents
Lavanya K., Kaur K., Jaitak V.
A New Optimized Hybridization Approach for in silico High Throughput Molecular Docking on FPGA Platform
Jarrah A., Lababneh J.
The Therapeutic Effect and Potential Pharmacological Mechanisms of Ding-Zhi-Xiao-Wan on Depression were Investigated by Meta-analysis, Network Pharmacology and Molecular Docking
Lin L., Wu H., Qiu Z.
1 - 41 of 41 Items

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