Role of proteolytic enzymes in the COVID-19 infection and promising therapeutic approaches
M Gioia, C Ciaccio, P Calligari, G De Simone… - Biochemical …, 2020 - Elsevier
In the Fall of 2019 a sudden and dramatic outbreak of a pulmonary disease (Coronavirus
Disease COVID-19), due to a new Coronavirus strain (ie, SARS-CoV-2), emerged in the …
Disease COVID-19), due to a new Coronavirus strain (ie, SARS-CoV-2), emerged in the …
Applications of density functional theory in COVID-19 drug modeling
The rapidly evolving Coronavirus 2019 (COVID-19) pandemic has led to millions of deaths
around the world, highlighting the pressing need to develop effective antiviral …
around the world, highlighting the pressing need to develop effective antiviral …
[HTML][HTML] Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease
C Shivanika, D Kumar, V Ragunathan… - … structure & dynamics, 2020 - ncbi.nlm.nih.gov
The study aims to evaluate the potency of two hundred natural antiviral phytocompounds
against the active site of the Severe Acquired Respiratory Syndrome-Coronavirus− 2 (SARS …
against the active site of the Severe Acquired Respiratory Syndrome-Coronavirus− 2 (SARS …
[HTML][HTML] Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study
The recent coronavirus outbreak has changed the world's economy and health sectors due
to the high mortality and transmission rates. Because the development of new effective …
to the high mortality and transmission rates. Because the development of new effective …
An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffolds
P Schake, K Dishnica, F Kaiser, C Leberecht… - Scientific Reports, 2023 - nature.com
The recent outbreak of the COVID-19 pandemic caused by severe acute respiratory
syndrome-Coronavirus-2 (SARS-CoV-2) has shown the necessity for fast and broad drug …
syndrome-Coronavirus-2 (SARS-CoV-2) has shown the necessity for fast and broad drug …
Synthesis, DFT Studies, molecular docking and biological activity evaluation of thiazole-sulfonamide derivatives as potent Alzheimer's inhibitors
Alzheimer's disease is a major public brain condition that has resulted in many deaths, as
revealed by the World Health Organization (WHO). Conventional Alzheimer's treatments …
revealed by the World Health Organization (WHO). Conventional Alzheimer's treatments …
[HTML][HTML] Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents
The need for novel antiviral drug particularly for hepatitis B (HBV) and C (HCV) virus cannot
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
Synthesis of cellulose based amino acid functionalized nano-biocomplex: Characterization, antifungal activity, molecular docking and hemocompatibility
In this study, amino acid functionalized nano-biocomplex based on cellulose was prepared
to avoid use of traditional antifungal agents which easy resist by fungi. Dialdehyde cellulose …
to avoid use of traditional antifungal agents which easy resist by fungi. Dialdehyde cellulose …
Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2
Abstract Using the Density Functional Theory approach and in silico docking, the current
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …
[HTML][HTML] A review on medicinally important heterocyclic compounds
Heterocyclic compounds account for the most prominent and diverse class of organic
compounds. A significant number of heterocyclic compounds have been synthesized up to …
compounds. A significant number of heterocyclic compounds have been synthesized up to …