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In Silico Pharmacology|August 19, 2026
D-(-)-ribofuranose identified from traditional fermented rice beverages of Assam exhibits monoamine oxidase inhibitory activity: an integrated GC-MS/MS metabolomics, molecular docking, molecular dynamics, and in vitro studyRohit Das, Bipashna Thatal, Buddhiman Tamang
In Silico Pharmacology|August 19, 2026
Integrated molecular docking, toxicity prediction, and molecular dynamics simulations studies to identify potential antimalarial candidates targeting enoyl-acyl carrier protein reductase enzymeAbozur Mohamed Mohyeldin Khalil, Carlos Eliel Maya-Ramírez, Ammar A Razzak Mahmood, et al.
In Silico Pharmacology|August 19, 2026
Identification of selective bioactive compounds from Fenugreek seed extracts by GC-MS analysis and their anti-tumoral potential via modulation of Parkin in oral cancerRashmi Kumari, Madhu Rani, M Amarendar Reddy, et al.
In Silico Pharmacology|August 19, 2026
Beyond gluten-free diet: repurposing pitavastatin and lubiprostone as cathepsin S inhibitors for celiac disease therapyRahul Soloman Singh, Gladson David Masih, Ashutosh Singh, et al.
In Silico Pharmacology|September 8, 2026
In silico design of a novel peptide-based vaccine candidate against Streptococcus pneumoniaeJahangir Sabzevari, Mona Shafaghi, Zohreh Bahadori, et al.
In Silico Pharmacology|September 8, 2026
Integrative computational analysis combining network pharmacology, regulatory network modeling, and molecular dynamics reveals the mechanisms of Quanshen compound in ITPMaimaitiaili Yiganbaierdi, Abudoumijiti Abula, Ayitila Tuerxun, et al.
In Silico Pharmacology|September 8, 2026
Design, synthesis, drug-likeness, and molecular dynamics evaluations of monobrominated amathamide G analogs as potential ligands for D2-like dopamine receptorsAngélica Navarrete-Gutiérrez, Octavio Frías-Aviña, Julio Montes-Ávila, et al.
In Silico Pharmacology|September 26, 2026
An interpretable consensus pipeline for candidate dopamine D2 receptor ligandsSphamandla Mtambo, Hezekiel M Kumalo, Cornelius Cano Ssemakalu
In Silico Pharmacology|September 21, 2026
Ethnomedicinal plants for pain and inflammation in Malakand Top, Pakistan: an ethnopharmacological and in silico evaluationMajid Khan, Fazli Amin, Muhammad Hassan, et al.
In Silico Pharmacology|October 8, 2026
Integrating network pharmacology to investigate the mechanism of esculetin from Nyctanthes arbor-tristis leaves against breast cancerRohit Singh Negi, Nitish Kumar, Rakesh Kumar Gupta, et al.
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