Therapeutic role of medicinal plants against viral diseases focusing on COVID-19: Application of computational chemistry towards drug design
Yazarlar (3)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
Sara Shahriari
Islamic Azad University, Central Tehran Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
Makale Türü Açık Erişim Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale)
Dergi Adı Revista Colombiana De Ciencias Quimico Farmaceuticas Colombia
Dergi ISSN 0034-7418 Scopus Dergi
Dergi Tarandığı Indeksler
Makale Dili İngilizce Basım Tarihi 01-2024
Cilt / Sayı / Sayfa 53 / 1 / 19–43 DOI 10.15446/rcciquifa.v53n1.112978
Makale Linki https://search.proquest.com/openview/6583f55a02654d3c420c6665da4f71e2/1?pq-origsite=gscholar&cbl=2035763
UAK Araştırma Alanları
Fen Bilimleri ve Matematik
Özet
Introduction The phytocompounds of curcumin, epicatechin-gallate, luteolin-7-glucoside, and zingerol extracted from Garlic, Turmeric/Curcuma, Green tea, Welsh onion/Leek, and Ginger, respectively, were studied in this paper. Therefore, the purpose of this research is evaluating the effective physicochemical properties of these herbal products to to fight against the SARS-CoV-2 infection. Materials and Methods The properties of these phytocompounds including dipole moment, thermochemistry, chemical shielding tensors, charge density, electrostatic potential and electron donating and electron accepting through frontier orbitals have been computed due to density functional theory (DFT) and m062x/cc-pvdz pseudo= CEP method towards the drug delivery system. Results and Discussion T hermochemical properties have evaluated the combined group contribution and atom connectivity index with uncertainties in …
Anahtar Kelimeler
COVID-19 | COVID-19 | COVID-19 | DFT | DFT | DFT | medicinal plant | planta medicinal | planta medicinal | proteína TMH | proteína TMH | TMH protein