The exploration of natural sources of antioxidant phytochemicals for human use with little toxicity gained worldwide attention. The preliminary screening of Malva sylvestris extracts revealed that its phytochemicals such as polyphenols, flavonoids and tannins, have high therapeutic potential. The total phenolic/flavonoids compounds of Malva sylvestris were extracted and isolated using bioassay guidelines, as well as in-silico studies. The extracts radical scavenging activity was further investigated using 1-diphenyl-2-picrylhydrazyl (DPPH) and nitric oxide (NO) radical bioassays. The antioxidant potentials of various fractions were compared to standard antioxidants such as ascorbic acid and quercetin. The dichloromethane extracts of Malva sylvestris exhibited the antiradical activity against DPPH and NO with radical scavenging activities (RSA) of 88.52 and 91.05% with IC₅₀ values 22.11 and 19.01 µg/mL respectively. Bio guided isolation form the dichloromethane sub fractions that afforded twelve phytochemicals. Furthermore, the frontier molecular orbitals (FMO), several molecular descriptors, electron affinity, ionization potential and molecular electrostatic potential (MEP) have been discussed to probe the active sites of various phytochemicals. A systematic study of isolated drugs was conducted, as well as docking, frontier molecular orbitals energies, active sites and molecular descriptors were compared with drugs currently used against COVID19 namely, dexamethasone, hydroxychloroquine, favipiravir and remdesivir. For the first time, through molecular docking approach, the inhibitions of these plant phytochemicals with NADPH were recorded to show antioxidant behavior and to explore anti-SARS-CoV-2 using core protease (6LU7) protein.

探索人类使用的低毒性抗氧化植物化学物质的天然来源引起了全世界的关注。锦葵提取物的初步筛选表明，其植物化学物质，如多酚、黄酮类和单宁，具有很高的治疗潜力。使用生物测定指南以及计算机研究来提取和分离锦葵的总酚类/黄酮类化合物。使用 1-二苯基-2-苦基肼 (DPPH) 和一氧化氮 (NO) 自由基生物测定法进一步研究了提取物的自由基清除活性。将各种级分的抗氧化潜力与标准抗氧化剂如抗坏血酸和槲皮素进行了比较。锦葵的二氯甲烷提取物 显示出对 DPPH 和 NO 的抗自由基活性，自由基清除活性 (RSA) 为 88.52% 和 91.05%，IC ₅₀值分别为 22.11 和 19.01 µg/mL。生物引导分离形成提供十二种植物化学物质的二氯甲烷子级分。此外，前沿分子轨道 (FMO)、几种分子描述符、电子亲和力、电离势和分子静电势 (MEP) 已被讨论以探测各种植物化学物质的活性位点。对分离药物的系统研究是 进行以及对接，将前沿分子轨道能量、活性位点和分子描述符与目前用于对抗 COVID19 的药物，即地塞米松、羟氯喹、法匹拉韦和瑞德西韦进行了比较。首次通过分子对接方法，记录了这些植物化学物质对 NADPH 的抑制作用，以显示抗氧化行为，并使用核心蛋白酶 (6LU7) 蛋白探索抗 SARS-CoV-2。