Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Design, synthesis, in vitro biological assessment and molecular modeling insights for novel 3-(naphthalen-1-yl)-4, 5-dihydropyrazoles as anticancer agents with …
Currently, the humanity is in a fierce battle against various health-related challenges
especially those associated with human malignancies. This created the urge to develop …
especially those associated with human malignancies. This created the urge to develop …
GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of Syzygium cumini (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking …
Syzygium cumini (Pomposia) is a well-known aromatic plant belonging to the family
Myrtaceae, and has been reported for its various traditional and pharmacological potentials …
Myrtaceae, and has been reported for its various traditional and pharmacological potentials …
Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations
Abstract Novel SARS-CoV-2, an etiological factor of Coronavirus disease 2019 (COVID-19),
poses a great challenge to the public health care system. Among other druggable targets of …
poses a great challenge to the public health care system. Among other druggable targets of …
Identification of sulphonamide-tethered N-((triazol-4-yl)methyl)isatin derivatives as inhibitors of SARS-CoV-2 main protease
SARS-CoV-2 pandemic in the end of 2019 led to profound consequences on global health
and economy. Till producing successful vaccination strategies, the healthcare sectors …
and economy. Till producing successful vaccination strategies, the healthcare sectors …
Isolation, structure elucidation and antimicrobial evaluation of natural pentacyclic triterpenoids and phytochemical investigation of different fractions of Ziziphus spina …
Ziziphus spina-christi L.(ZSC-L) is a tree with thorny branches, belongs to the family
Rhamnaceae and grows in the sub-tropics. The purpose of this research is to isolate and …
Rhamnaceae and grows in the sub-tropics. The purpose of this research is to isolate and …
Reaction mechanism–explored with the unified reaction valley approach
E Kraka, JJ Antonio, M Freindorf - Chemical Communications, 2023 - pubs.rsc.org
One of the ultimate goals of chemistry is to understand and manipulate chemical reactions,
which implies the ability to monitor the reaction and its underlying mechanism at an atomic …
which implies the ability to monitor the reaction and its underlying mechanism at an atomic …
Comparative metabolic study of the chloroform fraction of three Cystoseira species based on UPLC/ESI/MS analysis and biological activities
This study aims to investigate the phytoconstituents of the chloroform fraction of three
Cystoseira spp. namely C. myrica, C. trinodis, and C. tamariscifolia using UPLC/ESI/MS …
Cystoseira spp. namely C. myrica, C. trinodis, and C. tamariscifolia using UPLC/ESI/MS …
GC/MS Profiling of the Essential Oil and Lipophilic Extract of Moricandia sinaica Boiss. and Evaluation of Their Cytotoxic and Antioxidant Activities
The genus Moricandia (Brassicaceae) comprises about eight species that were used in
traditional medicine. Moricandia sinaica is used to alleviate certain disorders such as …
traditional medicine. Moricandia sinaica is used to alleviate certain disorders such as …
GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights
GC-MS profiling and metabolomics study of anise and star anise oils obtained by
hydrodistillation, n-hexane, and microwave-assisted extraction methods were conducted …
hydrodistillation, n-hexane, and microwave-assisted extraction methods were conducted …