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Lipogenic stearoyl-CoA desaturase-1 (SCD1) targeted virtual screening for chemical inhibitors: molecular docking / dynamics simulation and in vitro assessment of anti-NAFLD efficacy.

Autor: Puri S; Biochemistry and Enzyme Biotechnology Lab, Department of Biological Sciences, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India deepa@pilani.bits-pilani.ac.in +91 1596 255881., Kirad S; Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India murugesan@pilani.bits-pilani.ac.in +91-1596-255717., Muzaffar-Ur-Rehman M; Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India murugesan@pilani.bits-pilani.ac.in +91-1596-255717., Mandal SK; Biochemistry and Enzyme Biotechnology Lab, Department of Biological Sciences, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India deepa@pilani.bits-pilani.ac.in +91 1596 255881., Sharma PK; Biochemistry and Enzyme Biotechnology Lab, Department of Biological Sciences, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India deepa@pilani.bits-pilani.ac.in +91 1596 255881., Sankaranarayanan M; Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India murugesan@pilani.bits-pilani.ac.in +91-1596-255717., Deepa PR; Biochemistry and Enzyme Biotechnology Lab, Department of Biological Sciences, Birla Institute of Technology and Science Pilani, Pilani Campus Pilani-333031 Rajasthan India deepa@pilani.bits-pilani.ac.in +91 1596 255881.

Publikováno v: RSC advances [RSC Adv] 2024 Oct 08; Vol. 14 (43), pp. 31797-31808. Date of Electronic Publication: 2024 Oct 08 (Print Publication: 2024).