[HTML][HTML] Natural and semi-synthetic flavonoid anti-SARS-CoV-2 agents for the treatment of long COVID-19 disease and neurodegenerative disorders of cognitive …
The aim of this review is to highlight the beneficial attributes of flavonoids, a diverse family of
widely-distributed polyphenolic phytochemicals that have beneficial cell and tissue …
widely-distributed polyphenolic phytochemicals that have beneficial cell and tissue …
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 …
the position in the list of deadliest diseases over the globe. In women, breast cancer is the …
Repurposing and computational design of PARP inhibitors as SARS-CoV-2 inhibitors
Abstract Coronavirus disease 2019 (COVID-19) is a recent pandemic that caused serious
global emergency. To identify new and effective therapeutics, we employed a drug …
global emergency. To identify new and effective therapeutics, we employed a drug …
Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; …
The RAS gene family is one of the most frequently mutated oncogenes in human cancers. In
KRAS, mutations of G12D and G12C are common. Here, 52 iridoids were selected and …
KRAS, mutations of G12D and G12C are common. Here, 52 iridoids were selected and …
[HTML][HTML] Network metrics, structural dynamics and density functional theory calculations identified a novel Ursodeoxycholic Acid derivative against therapeutic target …
Parkinson's disease (PD) has been designated as one of the priority neurodegenerative
disorders worldwide. Although diagnostic biomarkers have been identified, early onset …
disorders worldwide. Although diagnostic biomarkers have been identified, early onset …
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 …
and it is a major threat to global TB control strategies and the human population …
Exploring new catechin derivatives as SARS-CoV-2 Mpro inhibitors from tea by molecular networking, surface plasma resonance, enzyme inhibition, induced fit …
Abstract SARS-CoV-2 M pro (Mpro) is the critical cysteine protease in coronavirus viral
replication. Tea polyphenols are effective M pro inhibitors. Therefore, we aim to isolate and …
replication. Tea polyphenols are effective M pro inhibitors. Therefore, we aim to isolate and …
Therapeutic implications of quercetin and its derived-products in COVID-19 protection and prophylactic
WY Ho, Z Shen, Y Chen, TH Chen, XL Lu, YS Fu - Heliyon, 2024 - cell.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a novel human
coronavirus, which has triggered a global pandemic of the coronavirus infectious disease …
coronavirus, which has triggered a global pandemic of the coronavirus infectious disease …
Structural chemistry and molecular-level interactome reveals histidine kinase EvgS to subvert both antimicrobial resistance and virulence in Shigella flexneri 2a str …
Multi-drug resistant (MDR) Shigella flexneri 2a, one of the leading bacterial agents of
diarrhoeal mortality, has posed challenges in treatment strategies. The present study was …
diarrhoeal mortality, has posed challenges in treatment strategies. The present study was …
Computational aspects: self-clean coatings, plastics and polymers in coatings
Computational techniques have widely been used as a powerful tool in different sectors of
polymeric coatings to predict several targeted and performance properties. Articles …
polymeric coatings to predict several targeted and performance properties. Articles …