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In Silico Pharmacology|December 29, 2025
Unveiling isorhapontigenin's cardioprotective role via TGF-β1/smad pathway: insights from network pharmacology and molecular simulationsGanavi Manjula Ramesha, Kamsagara Linganna Krishna, C P Kavana, et al.
In Silico Pharmacology|December 29, 2025
Convolutional neural network-assisted screening of natural product inhibitors against Naja naja venom: insights from molecular docking, molecular dynamics simulations and ADMET profilingPraseetha Prabhakaran Kala, Periasamy Sakthidhasan, Sakthivel Gandhi, et al.
In Silico Pharmacology|January 12, 2026
Molecular simulation and ADMET analysis of fucoidan derivatives against dengue virus: identification of 3,4-diphospho fucoidan as a promising lead compoundRamalingam Kothai, Muniyappan Saravanan, Ramalingam Balachandar, et al.
In Silico Pharmacology|December 15, 2025
Immunoinformatics-guided approach to target CISD2 upregulation using (2R)-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one(6J6) for treating chronic kidney disease: enhancing CISD2 upregulation to combat CKD through 6J6Saad Ilyas Baig, Anamta Umar, Hira Ejaz, et al.
In Silico Pharmacology|December 12, 2025
In vitro and computational evaluation of the erectogenic and anti-diabetic potential of ethanol extract of Hymenodictyon pachyantha stem barkEmmanuel Chigozie Aham, Queendaline Chidera Onyema, Chukwudumebi Chidinma Chukwurah, et al.
In Silico Pharmacology|November 10, 2025
Design of chimera vaccine against cutavirus using vaccinomics and immunoinformatics approachesSyed Luqman Ali, Awais Ali, Asifullah Khan
In Silico Pharmacology|November 10, 2025
Targeting the alpha-synuclein protein to treat Parkinson's disease using novel inhibitors identified using an integrated computational drug development approachesArif Jamal Siddiqui, Sadaf Jahan, Juhi Saxena, et al.
In Silico Pharmacology|November 10, 2025
Integrated network pharmacology and molecular docking reveal therapeutic potential of Moringa oleifera glycosides, targeting key regulatory genes in colorectal cancerAnupam Sharma, Abhinav Sharma, Devinder Kumar Maheshwari, et al.
In Silico Pharmacology|July 1, 2025
I n-silico drug repurposing for lysyl oxidase inhibition and ferroptosis prevention in epilepsyShrajal Kumari, Gajendra Choudhary, Ajay Prakash, et al.
In Silico Pharmacology|September 22, 2025
Naringenin and its structural analogues inhibit CDK2: a combined MD-MMGBSA and protein-ligand interaction study for colon cancerFrancis Dhiya, K S Sindhu, J Kavitha, et al.
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