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 …
Shikonin, a naphthalene ingredient: Therapeutic actions, pharmacokinetics, toxicology, clinical trials and pharmaceutical researches
Q Sun, T Gong, M Liu, S Ren, H Yang, S Zeng, H Zhao… - Phytomedicine, 2022 - Elsevier
Background Shikonin is one of the major phytochemical components of Lithospermum
erythrorhizon (Purple Cromwell), which is a type of medicinal herb broadly utilized in …
erythrorhizon (Purple Cromwell), which is a type of medicinal herb broadly utilized in …
Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants–Emblica officinalis (Amla), Phyllanthus niruri Linn …
S Murugesan, S Kottekad, I Crasta… - Computers in biology …, 2021 - Elsevier
Abstract Coronavirus Disease-2019 (COVID-19), a viral disease caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by …
respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by …
[HTML][HTML] Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies
SA Cherrak, H Merzouk, N Mokhtari-Soulimane - Plos one, 2020 - journals.plos.org
A novel coronavirus responsible of acute respiratory infection closely related to SARS-CoV
has recently emerged. So far there is no consensus for drug treatment to stop the spread of …
has recently emerged. So far there is no consensus for drug treatment to stop the spread of …
Benchmarking refined and unrefined AlphaFold2 structures for hit discovery
The recently developed AlphaFold2 (AF2) algorithm predicts proteins' 3D structures from
amino acid sequences. The open AlphaFold protein structure database covers the complete …
amino acid sequences. The open AlphaFold protein structure database covers the complete …
[HTML][HTML] Contributions of human ACE2 and TMPRSS2 in determining host–pathogen interaction of COVID-19
S Senapati, P Banerjee, S Bhagavatula… - Journal of genetics, 2021 - Springer
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection is at present an
emerging global public health crisis. Angiotensin converting enzyme 2 (ACE2) and trans …
emerging global public health crisis. Angiotensin converting enzyme 2 (ACE2) and trans …
[HTML][HTML] Medicinal plants, phytochemicals, and herbs to combat viral pathogens including SARS-CoV-2
AV Anand, B Balamuralikrishnan, M Kaviya, K Bharathi… - Molecules, 2021 - mdpi.com
The coronavirus disease 2019 (COVID-19) pandemic, caused by severe acute respiratory
syndrome corona virus-2 (SARS-CoV-2), is the most important health issue, internationally …
syndrome corona virus-2 (SARS-CoV-2), is the most important health issue, internationally …
[HTML][HTML] Recent progress in the drug development targeting SARS-CoV-2 main protease as treatment for COVID-19
W Cui, K Yang, H Yang - Frontiers in molecular biosciences, 2020 - frontiersin.org
The sudden outbreak of 2019 novel coronavirus (2019-nCoV, later named SARS-CoV-2)
rapidly turned into an unprecedented pandemic of coronavirus disease 2019 (COVID-19) …
rapidly turned into an unprecedented pandemic of coronavirus disease 2019 (COVID-19) …
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 …
[HTML][HTML] Pharmacoinformatics-based investigation of bioactive compounds of Rasam (South Indian recipe) against human cancer
Spice-rich recipes are referred to as “functional foods” because they include a variety of
bioactive chemicals that have health-promoting properties, in addition to their nutritional …
bioactive chemicals that have health-promoting properties, in addition to their nutritional …