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