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Molecular docking

Enhancement of neutrophil chemotaxis by trans-anethole-treated Staphylococcus aureus strains

Paweł Kwiatkowski, Aleksandra Tabiś, [ ... ], Iwona Wojciechowska-Koszko

Interleukin-10 as Covid-19 biomarker targeting KSK and its analogues: Integrated network pharmacology

Vidhya Rajalakshmi V., Akilandeswari Ramu, [ ... ], Thangavelu Sathiamoorthi

Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET analysis

Santosh Basnet, Madhav Prasad Ghimire, [ ... ], Achyut Adhikari

Identification of host genomic biomarkers from multiple transcriptomics datasets for diagnosis and therapies of SARS-CoV-2 infections

Bandhan Sarker, Md. Matiur Rahaman, [ ... ], Md. Nurul Haque Mollah

Integrated network pharmacology and molecular modeling approach for the discovery of novel potential MAPK3 inhibitors from whole green jackfruit flour targeting obesity-linked diabetes mellitus

Tejaswini Maradesha, Reshma Mary Martiz, [ ... ], Ramith Ramu

Curcumin’s mechanism of action against ischemic stroke: A network pharmacology and molecular dynamics study

Yangyang Wang, Guoxiu Zu, [ ... ], Chengdong Zhang

Synthesis, antimicrobial and molecular docking study of structural analogues of 3-((5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Saharish Khaliq, Mohsin Abbas Khan, [ ... ], Farhat Ullah

Repositioning of acefylline as anti-cancer drug: Synthesis, anticancer and computational studies of azomethines derived from acefylline tethered 4-amino-3-mercapto-1,2,4-triazole

Irum Shahzadi, Ameer Fawad Zahoor, [ ... ], Mariusz Mojzych

Endophytic bacteria of Fagonia indica Burm. f revealed to harbour rich secondary antibacterial metabolites

Lubna Rahman, Asma Mukhtar, [ ... ], Zabta Khan Shinwari

In silico structure-based designers of therapeutic targets for diabetes mellitus or obesity: A protocol for systematic review

Ana Francisca Teixeira Gomes, Wendjilla Fortunato de Medeiros, [ ... ], Ana Heloneida de Araújo Morais

GW-2974 and SCH-442416 modulators of tyrosine kinase and adenosine receptors can also stabilize human telomeric G-quadruplex DNA

Alaa A. Salem, Ismail A. El Haty, Mohammad A. Ghattas

Mechanism of gene network in the treatment of intracerebral hemorrhage by natural plant drugs in Lutong granules

Jie Sun, Na Li, [ ... ], Ting Hua Wang

Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites

Sarkar M. A. Kawsar, Mohammed A. Hosen, [ ... ], Souraya Goumri-Said

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