Exploring Citrus sinensis Phytochemicals as Potential Inhibitors for Breast Cancer Genes BRCA1 and BRCA2 Using Pharmacophore Modeling, Molecular Docking, MD Simulations, and DFT Analysis
Mehreen Zia,
Shagufta Parveen,
Nusrat Shafiq,
Maryam Rashid,
Ariba Farooq,
Musaab Dauelbait,
Muhammad Shahab,
Ahmad Mohammad Salamatullah,
Simone Brogi,
Mohammed Bourhia
Affiliations
Mehreen Zia
Synthetic and Natural Products Discovery (SNPD) Laboratory, Department of Chemistry, Government College Women University, Faisalabad, Pakistan
Shagufta Parveen
Synthetic and Natural Products Discovery (SNPD) Laboratory, Department of Chemistry, Government College Women University, Faisalabad, Pakistan
Nusrat Shafiq
Synthetic and Natural Products Discovery (SNPD) Laboratory, Department of Chemistry, Government College Women University, Faisalabad, Pakistan
Maryam Rashid
Synthetic and Natural Products Discovery (SNPD) Laboratory, Department of Chemistry, Government College Women University, Faisalabad, Pakistan
Ariba Farooq
Department of Chemistry, University of Lahore, Lahore, Pakistan
Musaab Dauelbait
Department of Scientific Translation, Faculty of Translation, University of Bahri, Khartoum, Sudan
Muhammad Shahab
State Key Laboratories of Chemical Resources Engineering, Beijing University of Chemical Technology, Beijing, P. R. China
Ahmad Mohammad Salamatullah
Department of Food Science & Nutrition, College of Food and Agricultural Sciences, King Saud University, Riyadh, Saudi Arabia
Simone Brogi
Department of Pharmacy, Pisa University, Pisa, Italy
Mohammed Bourhia
Department of Chemistry and Biochemistry, Faculty of Medicine and Pharmacy, Ibn Zohr University, Laayoune, Morocco
