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In Silico Pharmacology|September 8, 2025
Structure-guided design and triplicate molecular dynamics evaluation of mutant peptide inhibitors targeting SARS-CoV-2 main protease (Mpro)Ankita Bhagat, Lakshmi Mounika Kelam, Nilanjan Samanta, et al.
In Silico Pharmacology|September 8, 2025
Phytocompounds of Honey mesquite (Prosopis glandulosa) and Lodhra (Symplocos racemosa) in the management of COVID-19 associated rheumatoid arthritis (CARA)Gargi Sen, Indrani Sarkar, Sandipan Ghosh, et al.
In Silico Pharmacology|September 19, 2025
Molecular docking, molecular dynamics simulation, and ADME profiling of novel benzoxazolone-based OGT inhibitorsTanisqa Mall, Parteek Prasher, Macarena Loncón-Pavez, et al.
In Silico Pharmacology|June 12, 2025
A comprehensive In-silico analysis of the known and novel synthesized 5-substituted barbituric acid derivatives acting as CNS depressantsSoni Rani, Manisha Behera, Soma Mondal Ghorai, et al.
In Silico Pharmacology|June 16, 2025
Computational study of phytochemicals from Khaya grandifoliola (WELW) as potential inhibitors of the Plasmodium falciparum transketolase and putative antimalarial agentsJoseph M Agbedahunsi, Mojisola C Cyril-Olutayo, Racheal Y Fadare, et al.
In Silico Pharmacology|June 16, 2025
In-silico identification of novel inhibitors of human androgen receptors and prostrate-specific membrane antigen: a comprehensive target-based molecular docking, molecular dynamics simulation, and ADME-toxicity studiesAdejoke Oluwaseun Osideko, Ibrahim Olaide Adedotun, Misbaudeen Abdul-Hammed, et al.
In Silico Pharmacology|June 23, 2025
Exploring the therapeutic potential of Premna barbata Wall. ex Schauer stem bark in colon cancer: apoptosis induction, cell cycle analysis, and in-silico insightsBhuwan Chandra Joshi, Vijay Juyal, Archana N Sah, et al.
In Silico Pharmacology|June 5, 2025
Unraveling the impact of ZG16B missense mutations: computational prediction of structural and functional consequencesJannatun Nayem Namme, Hasan Mahmud Reza, Asim Kumar Bepari
In Silico Pharmacology|February 19, 2024
Cytokines inhibitory mechanism of Prunus domestica L. (Plum) peptides as potential immunomodulators against systemic lupus erythematosus: an in-silico screeningAnshika Gupta, Tanya Jamal, Priyanka Rajbhar, et al.
In Silico Pharmacology|July 18, 2024
GC-MS analysis and pharmacological potentiality of Lasia spinosa (L.) Thwaites leaves and fruit extracts: an in vitro and in silico studiesMd Anamul Haq, Md Eram Hosen, Rakhi Rani, et al.
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