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In Silico Pharmacology|November 21, 2024
Phytotherapeutic potential of Campomanesia xanthocarpa (Mart.) O. Berg: antitumor effects in vitro and in silico, with emphasis on SK-MEL-28 melanoma cells-a study on leaf and fruit infusionsVanessa Ruana Ferreira da Silva, Gilnei Bruno da Silva, Daiane Manica, et al.
In Silico Pharmacology|November 22, 2024
Effect of bioactive compounds of Mucuna pruriens on proteins of Wnt/β catenin pathway in pulmonary hypertension by in silico approachSupriya Bhosle, Shrilaxmi Bagali, Prachi P Parvatikar, et al.
In Silico Pharmacology|November 4, 2024
Molecular mechanisms of sulforaphane in Alzheimer's disease: insights from an in-silico studyGiang Huong Vu, Hai Duc Nguyen
In Silico Pharmacology|October 22, 2024
First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studiesLomash Banjare, Anjali Murmu, Nilesh Kumar Pandey, et al.
In Silico Pharmacology|May 11, 2026
Integrated in silico investigation of an androstendiol derivative (monoxetanol) as a potential anti-prostate cancer agent: insights from molecular docking, MD simulations, MM/PBSA, ADMET, and DFT analysesYahia Bekkar, Lanez Elhafnaoui, Najim A Al-Masoudi, et al.
In Silico Pharmacology|May 11, 2026
Exploring SmDHODH inhibition: natural products with potential anti-schistosomiasis activityRafaela Molina de Angelo, Michell de Oliveira Almeida, João Pedro Portilho Encide, et al.
In Silico Pharmacology|May 19, 2026
Structural modification of mefenamic acid to enhance medicinal efficacy and reduce toxicological effect: a DFT and in-silico studyIbrahim Khalil, Farhana Jahan Hira, Md Hazzat Ul Islam, et al.
In Silico Pharmacology|May 19, 2026
Chinese herbal Formula Q attenuates letrozole-induced polycystic ovary syndrome through modulating multiple metabolic processes in female adult ratsYihong Yin, Jingyi Wu, Ying Shen, et al.
In Silico Pharmacology|May 1, 2026
Rosmarinic acid as a potential GSK3β inhibitor for autism spectrum disorder: insights from an integrative in silico studyPriya Joon, Saumya Bansal, Jesil Mathew Aranjani, et al.
In Silico Pharmacology|June 5, 2026
Antidiabetic effects of Tipuana tipu leaves: in silico docking and experimental study in streptozotocin-induced diabetic ratsAnuragini Kumari, Yogesh Murti, Anuj Kumar Sharma, et al.
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