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In Silico Pharmacology|July 7, 2025
Lupeol acetate from Cleome viscosa as a therapeutic candidate for myocardial infarctionJames Diokadan, Ishimwe Aimée Divine, Shamasamu Emma, et al.
In Silico Pharmacology|July 24, 2025
Pharmacokinetic and toxicological profile in pharmaceutical bioprospecting of caryophyllene molecules using computational biology for therapeutic purposesAndré Nogueira Cardeal Dos Santos, José Ednésio da Cruz Freire, Andrelina Noronha Coelho-de-Souza
In Silico Pharmacology|December 12, 2025
Computational design and evaluation employed DFT, molecular docking, molecular dynamics, and ADMET analysis of salen-based drug candidates for potential cancer and tuberculosis treatmentKabir Hossain, Jahida Akter, Md Huzzatul Islam, et al.
In Silico Pharmacology|December 12, 2025
Biomarker driven drug repurposing for Fuchs' endothelial corneal dystrophy (FECD): a computational studySarangthem Dinamani Singh, Gayatri Gogoi, Selvaraman Nagamani, et al.
In Silico Pharmacology|December 22, 2025
Investigating the therapeutic potential of pinocembrin in Alzheimer's disease: insights from network pharmacology and molecular dockingAshima Sharma, L Sathiyanarayanan, S Arulmozhi
In Silico Pharmacology|December 15, 2025
Network pharmacology, molecular docking and molecular dynamics simulation suggest CE-326597 as an antimalarial moleculeDaniel M Shadrack, Angelina Makaye, Andima Moses, et al.
In Silico Pharmacology|December 9, 2025
Deciphering the bioactive properties of sodium lignosulfonate (LIG) and LIG-induced cell death of human fungal pathogen Candida albicansAnubhuti Jha, Awanish Kumar
In Silico Pharmacology|December 8, 2025
In silico decoding strategic pathways inhibition by coptisine for halting Alzheimer's pathology: a mechanistic insightAbhideep Roy, Diwakar Kumar, Pallab Bhattacharya, et al.
In Silico Pharmacology|December 8, 2025
Exploring Monodora myristica seed oil compounds as inhibitors of sterol O-Acyltransferase 1: implications for lipid-associated diabetic complicationsU Okeme, B O Yusuf, H Y Lukman, et al.
In Silico Pharmacology|December 8, 2025
Genetic variations in BDNF: therapeutic potential and influence on neuroregeneration in neurodegenerative diseasesTereza Raquel Xavier Viana, Regiane Priscila Ratti, Larissa Teodoro Rabi
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