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Structure-based identification of potential inhibitors of ribosomal protein S6 kinase 1, targeting cancer therapy: a combined docking and molecular dynamics simulations approach.

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第一作者： Afsar,Alam

第一单位： Department of Computer Science, Jamia Millia Islamia, New Delhi, India.

作者： Afsar,Alam ^[1] ; Mohammad Shahzeb,Khan ^[2] ; Yash,Mathur ^[2] ; Md Nayab,Sulaimani ^[2] ; Naqiya,Farooqui ^[3] ; Sheikh F,Ahmad ^[4] ; Ahmed,Nadeem ^[4] ; Dharmendra Kumar,Yadav ^[5] ; Taj,Mohammad ^[2]

作者单位： Department of Computer Science, Jamia Millia Islamia, New Delhi, India. ^[1] Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India. ^[2] Department of Biotechnology, Jamia Millia Islamia, New Delhi, India. ^[3] Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia. ^[4] Gachon Institute of Pharmaceutical Science and Department of Pharmacy, College of Pharmacy, Gachon University, Incheon, Republic of Korea. ^[5]

关键词 Ribosomal protein S6 kinase 1 anticancer therapy drug discovery molecular dynamics simulation natural compounds