Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review
VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …
clinical drug discovery, and various computational techniques and software programs are …
[HTML][HTML] Potential natural products against respiratory viruses: a perspective to develop anti-COVID-19 medicines
The emergence of viral pneumonia caused by a novel coronavirus (CoV), known as the
2019 novel coronavirus (2019-nCoV), resulted in a contagious acute respiratory infectious …
2019 novel coronavirus (2019-nCoV), resulted in a contagious acute respiratory infectious …
[HTML][HTML] Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS …
The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2
(SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present …
(SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present …
[HTML][HTML] Repurposing known drugs as covalent and non-covalent inhibitors of the SARS-CoV-2 papain-like protease
In the absence of an approved vaccine, developing effective severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) antivirals is essential to tackle the current pandemic …
syndrome coronavirus 2 (SARS-CoV-2) antivirals is essential to tackle the current pandemic …
[HTML][HTML] Structure-function characteristics of SARS-CoV-2 proteases and their potential inhibitors from microbial sources
The COVID-19 pandemic, caused by Severe Acute Respiratory Syndrome Coronavirus 2
(SARS-CoV-2), is considered the greatest challenge to the global health community of the …
(SARS-CoV-2), is considered the greatest challenge to the global health community of the …
[HTML][HTML] Establishing an analogue based in silico pipeline in the pursuit of novel inhibitory scaffolds against the SARS coronavirus 2 papain-like protease
R Hajbabaie, MT Harper, T Rahman - Molecules, 2021 - mdpi.com
The ongoing coronavirus pandemic has been a burden on the worldwide population, with
mass fatalities and devastating socioeconomic consequences. It has particularly drawn …
mass fatalities and devastating socioeconomic consequences. It has particularly drawn …
Looking for SARS-coV-2 therapeutics through computational approaches
M Vincenzi, FA Mercurio… - Current Medicinal …, 2023 - ingentaconnect.com
Background: In the last few years, in silico tools, including drug repurposing coupled with
structure-based virtual screening, have been extensively employed to look for anti-COVID …
structure-based virtual screening, have been extensively employed to look for anti-COVID …
[HTML][HTML] Recent progress on drugs discovery study for treatment of COVID-19: repurposing existing drugs and current natural bioactive molecules
COVID-19 has been a major global health concern for the past three years, and currently we
are still experiencing coronavirus patients in the following years. The virus, known as SARS …
are still experiencing coronavirus patients in the following years. The virus, known as SARS …
Computational screening of repurposed drugs and natural products against SARS-Cov-2 main protease (Mpro) as potential COVID-19 therapies
There remains an urgent need to identify existing drugs that might be suitable for treating
patients suffering from COVID-19 infection. Drugs rarely act at a single molecular target, with …
patients suffering from COVID-19 infection. Drugs rarely act at a single molecular target, with …
[HTML][HTML] GC-MS Based Metabolite Profiling, and Anti-Inflammatory Activity of Aqueous Extract of Myrica esculenta through In Vitro and In Silico Approach
AK Shrivastava, D Chaudhary, L Shrestha… - Medical Sciences …, 2023 - mdpi.com
In the present study was to determine the anti-inflammatory activity of the aqueous extract of
the bark and root of Myrica esculenta and their active phytoconstituents through in vitro and …
the bark and root of Myrica esculenta and their active phytoconstituents through in vitro and …