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Drug screening

Combatting antibiotic resistance in Gardnerella vaginalis: A comparative in silico investigation for drug target identification

Rabbia Riaz, Kanwal Khan, Saltanat Aghayeva, Reaz Uddin

Evaluating elexacaftor/tezacaftor/ivacaftor (ETI; Trikafta™) for treatment of patients with non-cystic fibrosis bronchiectasis (NCFBE): A clinical study protocol

Colin E. Swenson, William R. Hunt, [ ... ], Eric J. Sorscher

Distinguishing classes of neuroactive drugs based on computational physicochemical properties and experimental phenotypic profiling in planarians

Danielle Ireland, Christina Rabeler, [ ... ], Eva-Maria S. Collins

Design and fabrication of novel microfluidic-based droplets for drug screening on a chronic myeloid leukemia cell line

Niloofar Jaafari, Amir Asri Kojabad, Rima Manafi Shabestari, Majid Safa

Pharmacophore modeling and QSAR analysis of anti-HBV flavonols

Basireh Baei, Parnia Askari, [ ... ], Alireza Mohebbi

Virtual screening and molecular dynamics simulations identify repurposed drugs as potent inhibitors of Histone deacetylase 1: Implication in cancer therapeutics

Mohammed Alrouji, Sabina Yasmin, [ ... ], Anas Shamsi

Discovery of novel TACE inhibitors using graph convolutional network, molecular docking, molecular dynamics simulation, and Biological evaluation

Muhammad Yasir, Jinyoung Park, [ ... ], Wanjoo Chun

Unveiling Cathepsin B inhibition with repurposed drugs for anticancer and anti-Alzheimer’s drug discovery

Mohammed Alrouji, Sabina Yasmin, [ ... ], Anas Shamsi

Structure-based virtual screening of Trachyspermum ammi metabolites targeting acetylcholinesterase for Alzheimer’s disease treatment

Mohammed Sakib Musa, Md. Tahsinul Islam, [ ... ], Sumon Ganguli

Screening novel antiviral compounds to treat Clostridioides difficile infections

Brice J. Stolz, Ahmed A. Abouelkhair, Mohamed N. Seleem

Optogenetic screening of MCT1 activity implicates a cluster of non-steroidal anti-inflammatory drugs (NSAIDs) as inhibitors of lactate transport

Scott A. Wegner, Hahn Kim, José L. Avalos

Identification of core therapeutic targets for Monkeypox virus and repurposing potential of drugs: A WEB prediction approach

Huaichuan Duan, Quanshan Shi, [ ... ], Hubing Shi

Deep learning based predictive modeling to screen natural compounds against TNF-alpha for the potential management of rheumatoid arthritis: Virtual screening to comprehensive in silico investigation

Tasnia Nabi, Tanver Hasan Riyed, Akid Ornob

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