A computational odyssey: uncovering classical β-lactamase inhibitors in dry fruits
In the antibacterial arsenal, β-lactams have held a prominent position, but increasing
resistance due to unauthorized use and genetic factors requires new strategies. Combining …
resistance due to unauthorized use and genetic factors requires new strategies. Combining …
Biological evaluation, molecular modeling and dynamic simulation of IDQ bulk and IDQNPs: Organo nano-bio interface in the medical field
SY Salunkhe, RP Gurav, SS Rathod… - Journal of Molecular …, 2024 - Elsevier
The study aimed to synthesize 7, 7-dimethyl-10-aryl,-7, 8-dihydro-5H-indeno-[1, 2-b]-
quinoline-9, 11 (6H, 10H)‑dione nanoparticles (IDQNPs) and to explore their biological …
quinoline-9, 11 (6H, 10H)‑dione nanoparticles (IDQNPs) and to explore their biological …
[HTML][HTML] In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from …
P Gunasekaran, Y Velmurugan, DS Arputharaj… - Frontiers in …, 2023 - frontiersin.org
Introduction: Bioactive molecules from natural sources having contraceptive properties were
excellent alternatives for modern hormonal contraceptives. Researchers around the world …
excellent alternatives for modern hormonal contraceptives. Researchers around the world …
[HTML][HTML] Epigallocatechin Gallate and Isoquercetin Synergize With Remdesivir to Reduce SARS-CoV-2 Replication In Vitro
H Rabezanahary, A Badr, L Checkmahomed… - Frontiers in …, 2022 - frontiersin.org
The ongoing pandemic of coronavirus disease 2019 (COVID-19) caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) urgently needs effective antivirals. After …
respiratory syndrome coronavirus 2 (SARS-CoV-2) urgently needs effective antivirals. After …
Computational exploration of natural compounds targeting Staphylococcus aureus: inhibiting AgrA promoter binding for antimicrobial intervention
Staphylococcus aureus is a highly virulent nosocomial pathogen that poses a significant
threat to individuals exposed to healthcare settings. Due to its sophisticated machinery for …
threat to individuals exposed to healthcare settings. Due to its sophisticated machinery for …
Expediting the drug discovery for ideal leads against SARS-CoV-2 via molecular docking of repurposed drugs
Abstract SARS-CoV-2, the novel coronavirus spreading worldwide urges the need to
repurpose drugs that can quickly enter clinical trials to combat the on-going global …
repurpose drugs that can quickly enter clinical trials to combat the on-going global …
Neolamarckia cadamba (Roxb.) Bosser (Rubiaceae) extracts: promising prospects for anticancer and antibacterial potential through in vitro and in silico studies
Neolamarckia cadamba is an Indian traditional medicinal plant having various therapeutic
potentials. In the present study, we did solvent-based extraction of Neolamarckia cadamba …
potentials. In the present study, we did solvent-based extraction of Neolamarckia cadamba …
[HTML][HTML] Rutin potentially binds the gamma secretase catalytic site, down regulates the notch signaling pathway and reduces sphere formation in colonospheres
Rutin, a natural flavonol, can modulate molecular signaling pathways and has considerable
potential in cancer treatment. However, little is known about the effect of rutin on the notch …
potential in cancer treatment. However, little is known about the effect of rutin on the notch …
Hesperidin potentially interacts with the catalytic site of gamma-secretase and modifies notch sensitive genes and cancer stemness marker expression in colon cancer …
Gamma secretase (GS) produces Notch Intracellular Domain (NICD) by trans-membrane
cleavage of notch receptor. The NICD enters the nucleus and activates the notch signaling …
cleavage of notch receptor. The NICD enters the nucleus and activates the notch signaling …
Fragment-based drug design of novel inhibitors targeting lipoprotein (a) kringle domain KIV-10-mediated cardiovascular disease
Cardiovascular diseases (CVDs) are the leading cause of death globally, attributed to a
complex etiology involving metabolic, genetic, and protein-related factors. Lipoprotein (a)(Lp …
complex etiology involving metabolic, genetic, and protein-related factors. Lipoprotein (a)(Lp …