Deciphering the potential therapeutic effects of Hydnocarpus wightianus seed extracts using in vitro and in silico approaches
N Kathiresan, K Harini, P Veerabharathi, S Pandi… - Microbial …, 2024 - Elsevier
Phytocompounds possess the potential to treat a broad spectrum of disorders due to their
remarkable bioactivity. Naturally occurring compounds possess lower toxicity profiles, which …
remarkable bioactivity. Naturally occurring compounds possess lower toxicity profiles, which …
[HTML][HTML] Theoretical investigation of the cooperation of iminoguanidine with the enzymes-binding domain of covid-19 and bacterial lysozyme inhibitors and their …
The investigation for innovative treatments for Pseudomonas aeruginosa and SARS-CoV-2
is a burgeoning field. Even though scientists and pharmaceutical companies have made …
is a burgeoning field. Even though scientists and pharmaceutical companies have made …
Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running …
The development of novel medicines to treat autoimmune diseases and SARS-CoV-2 main
protease (Mpro), a virus that can cause both acute and chronic illnesses, is an ongoing …
protease (Mpro), a virus that can cause both acute and chronic illnesses, is an ongoing …
[PDF][PDF] 3D-QSAR, molecular docking, molecular dynamics simulations and structural studies of some selected inhibitors of the glycoprotein (GPC) of Lassa virus
ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
An Overview of SARS-CoV-2 Potential Targets, Inhibitors, and Computational Insights to Enrich the Promising Treatment Strategies
P Kumawat, LK Agarwal, K Sharma - Current Microbiology, 2024 - Springer
The rapid spread of the SARS-CoV-2 virus has emphasized the urgent need for effective
therapies to combat COVID-19. Investigating the potential targets, inhibitors, and in silico …
therapies to combat COVID-19. Investigating the potential targets, inhibitors, and in silico …
Hybrid model development through the integration of quantitative read-across (qRA) hypothesis with the QSAR framework: An alternative risk assessment of acute …
Regulatory authorities frequently need information on a chemical's capacity to produce
acute systemic toxicity in humans. Due to concerns about animal welfare, human relevance …
acute systemic toxicity in humans. Due to concerns about animal welfare, human relevance …
Identification of potential natural products derived from fungus growing termite, inhibiting Pseudomonas aeruginosa quorum sensing protein LasR using molecular …
Pseudomonas aeruginosa, the most common opportunistic pathogen, is becoming antibiotic-
resistant worldwide. The fate of P. aeruginosa, a multidrug-resistant strain, can be …
resistant worldwide. The fate of P. aeruginosa, a multidrug-resistant strain, can be …
In silico prediction of the inhibition of new molecules on SARS-CoV-2 3CL protease by using QSAR: PSOSVR approach
Continuous effort is dedicated to clinically and computationally discovering potential drugs
for the novel coronavirus-2. Computer-Aided Drug Design CADD is the backbone of drug …
for the novel coronavirus-2. Computer-Aided Drug Design CADD is the backbone of drug …
[PDF][PDF] Theoretical studies of 2-[(E)-(3-phenylmethoxyphenyl) methylideneamino] guanidine as promising drugs against SARS-coronavirus spike glycoproteins by …
Iminoguanidine is an important synthetic class in drug design because of its wide range of
pharmacological activity, which includes antibacterial [1, 2], antiviral [3], the capacity to …
pharmacological activity, which includes antibacterial [1, 2], antiviral [3], the capacity to …
In-silico studies of some potent hybrid compounds against Alzheimer's disease through virtual screening, simulation techniques, and pharmacokinetic endowment
Complications in the etiology of Alzheimer Disease (AD) as being a concern among the
research scientist and medicinal community. Hybrids compounds with multi-targeted …
research scientist and medicinal community. Hybrids compounds with multi-targeted …