Medicinal herbs in the relief of neurological, cardiovascular, and respiratory symptoms after COVID-19 infection a literature review

J Nawrot, J Gornowicz-Porowska, J Budzianowski… - Cells, 2022 - mdpi.com
COVID-19 infection causes complications, even in people who have had a mild course of
the disease. The most dangerous seem to be neurological ailments: anxiety, depression …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Computational Exploration of Anti-cancer Potential of Flavonoids against Cyclin-Dependent Kinase 8: An In Silico Molecular Docking and Dynamic Approach

S Rathod, K Shinde, J Porlekar, P Choudhari… - ACS …, 2022 - ACS Publications
Over the centuries, cancer has been considered one of the significant health threats. It holds
the position in the list of deadliest diseases over the globe. In women, breast cancer is the …

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic …

A Parihar, ZF Sonia, F Akter, MA Ali, FT Hakim… - Computers in Biology …, 2022 - Elsevier
The ongoing COVID-19 pandemic has affected millions of people worldwide and caused
substantial socio-economic losses. Few successful vaccine candidates have been approved …

One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors

RHH Salih, AH Hasan, AJ Hussein, MK Samad… - Research on Chemical …, 2022 - Springer
Pyrazoline and its derivatives have numerous prominent pharmacological effects. Focusing
on its anti-viral property, we have designed and synthesized three novel pyrazoline …

Exploring α, β-unsaturated carbonyl compounds against bacterial efflux pumps via computational approach

S Dey, S Rathod, K Gumphalwad, N Yadav… - Journal of …, 2023 - Taylor & Francis
Antibiotic resistance has become a pressing global health crisis, with bacterial infections
increasingly difficult to treat due to the emergence of multidrug resistance. This study aims to …

[HTML][HTML] An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the …

MB Singh, R Sharma, D Kumar, P Khanna… - Journal of infection and …, 2022 - Elsevier
The first infection case of new coronavirus was reported at the end of 2019 and after then,
the cases are reported in all nations across the world in a very short period. Further, the …

Nanotechnology applications of flavonoids for viral diseases

K Jannat, AK Paul, TA Bondhon, A Hasan, M Nawaz… - Pharmaceutics, 2021 - mdpi.com
Recent years have witnessed the emergence of several viral diseases, including various
zoonotic diseases such as the current pandemic caused by the Severe Acute Respiratory …

Exploring biogenic chalcones as DprE1 inhibitors for antitubercular activity via in silico approach

S Rathod, P Chavan, D Mahuli, S Rochlani… - Journal of Molecular …, 2023 - Springer
Cases of drug-resistant tuberculosis (TB) have increased worldwide in the last few years,
and it is a major threat to global TB control strategies and the human population …

Docking, ADMET prediction, DFT analysis, synthesis, cytotoxicity, antibacterial screening and QSAR analysis of diarylpyrimidine derivatives

VK Singh, H Chaurasia, R Mishra, R Srivastava… - Journal of Molecular …, 2022 - Elsevier
A new series of 2, 4 disubstituted diarylpyrimidine derivatives has been designed,
synthesized and screened for their antibacterial activity. QSAR studies followed by …