In silico pharmacology

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Computational targeting of iron uptake proteins in Covid-19 induced mucormycosis to identify inhibitors via molecular dynamics, molecular mechanics and density function theory studies.

Pub Date : 2024-09-29 DOI: 10.1007/s40203-024-00264-7 Manjima Sen, B M Priyanka, D Anusha, S Puneetha, Anagha S Setlur, Chandrashekar Karunakaran, Amulya Tandur, C S Prashant, Vidya Niranjan

Molecular docking and dynamics simulation of farnesol as a potential anticancer agent targeting mTOR pathway.

Pub Date : 2024-09-28 DOI: 10.1007/s40203-024-00259-4 Tabasum Ali, Ifat Jan, Rajath Ramachandran, Rabiah Bashir, Khurshid Iqbal Andrabi, Ghulam Nabi Bader

Integrative multi-target analysis of Urtica dioica for gout arthritis treatment: a network pharmacology and clustering approach.

Pub Date : 2024-09-28 DOI: 10.1007/s40203-024-00254-9 Maryam Qasmi, Muhammad Mazhar Fareed, Haider Ali, Zarmina Khan, Sergey Shityakov

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