Molecular dynamics simulations in drug discovery and pharmaceutical development
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …
development process. In this review, we give a broad overview of the current application …
Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products
Natural products are continually explored in the development of new bioactive compounds
with industrial applications, attracting the attention of scientific research efforts due to their …
with industrial applications, attracting the attention of scientific research efforts due to their …
Pharmacokinetics and drug-likeness of antidiabetic flavonoids: Molecular docking and DFT study
Computer aided toxicity and pharmacokinetic prediction studies attracted the attention of
pharmaceutical industries as an alternative means to predict potential drug candidates. In …
pharmaceutical industries as an alternative means to predict potential drug candidates. In …
A SIRT1 activator, ginsenoside Rc, promotes energy metabolism in cardiomyocytes and neurons
Q Huang, H Su, B Qi, Y Wang, K Yan… - Journal of the …, 2021 - ACS Publications
Targeting SIRT1 signaling pathway could improve glucose aerobic metabolism and
mitochondrial biosynthesis to resist cardiac and neurological injuries. Ginsenoside Rc has …
mitochondrial biosynthesis to resist cardiac and neurological injuries. Ginsenoside Rc has …
[HTML][HTML] ACSS3 represses prostate cancer progression through downregulating lipid droplet-associated protein PLIN3
L Zhou, Z Song, J Hu, L Liu, Y Hou, X Zhang, X Yang… - Theranostics, 2021 - ncbi.nlm.nih.gov
Current endocrine therapy for prostate cancer (PCa) mainly inhibits androgen/androgen
receptor (AR) signaling. However, due to increased intratumoural androgen synthesis and …
receptor (AR) signaling. However, due to increased intratumoural androgen synthesis and …
Natural products as modulators of sirtuins
Natural products have been used for the treatment of human diseases since ancient history.
Over time, due to the lack of precise tools and techniques for the separation, purification, and …
Over time, due to the lack of precise tools and techniques for the separation, purification, and …
Virtual screening in the identification of sirtuins' activity modulators
E Abbotto, N Scarano, F Piacente, E Millo, E Cichero… - Molecules, 2022 - mdpi.com
Sirtuins are NAD+-dependent deac (et) ylases with different subcellular localization. The
sirtuins' family is composed of seven members, named SIRT-1 to SIRT-7. Their substrates …
sirtuins' family is composed of seven members, named SIRT-1 to SIRT-7. Their substrates …
Pharmacokinetic, DFT modeling, molecular docking, and molecular dynamics simulation approaches: diptoindonesin A as a potential inhibitor of sirtuin-1
Abstract Sirtuin 1 (SIRT1) is a class III histone deacetylase that regulates several cellular
processes. SIRT1 overexpression is found in many cancer cases and is a potential …
processes. SIRT1 overexpression is found in many cancer cases and is a potential …
Flavonoids as sirtuin modulators
Sirtuins (SIRTs) are described as NAD+-dependent deacetylases, also known as class III
histone deacetylases. So far, seven sirtuin genes (SIRTS 1-7) have been identified and …
histone deacetylases. So far, seven sirtuin genes (SIRTS 1-7) have been identified and …
Potential compounds from several Indonesian plants to prevent SARS-CoV-2 infection: a mini-review of SARS-CoV-2 therapeutic targets
The outbreak of coronaviruses (CoVs) presents an enormous threat to humans. To date, no
new therapeutic drugs or vaccines licensed to treat human coronaviruses remain …
new therapeutic drugs or vaccines licensed to treat human coronaviruses remain …