Abstract:Cancer is the leading cause of death in the world. More than 10 million people worldwide are expected to be diagnosed with cancer, a disease commonly believed to be preventable. Moringa oleifera is one of the well known as a local plant as food and health plant in Indonesia. Anticancer is one of potential treatment found in Moringa oleifera seed, leaves, and pods extracts. This study aimed to discover natural bioactivity compound from Moringa oleifera for anticancer. Niazimicin is one of bioactive compound fou… Show more
“…Limited docking studies of NZ with potential enzymes have been reported in literature (Khusro et al., 2020; Pangastuti et al., 2016). To the best of our knowledge, this is the first report of in silico docking of NZ to its target enzymes, caspase‐3 and iNOS.…”
Moringa oleifera (MO) known as the miracle tree is a famous nutritional source in many countries. In this study, the neuroprotective activity of MO seeds was investigated. Fractions of the 70% ethanol seed extract of MO were injected at a dose of 250 mg kg−1 day−1 to albino rats for 15 days, after‐which induction of dementia was done using 100 mg/kg AlCl3 over 30 days. Results revealed that all fractions ameliorated the effects of AlCl3 where methylene chloride and ethyl acetate fractions, containing the major bioactive compound niazimicin (NZ), showed the best activities. Biological investigations proved NZ to be a highly potent neuroprotective drug lead as a first report, by causing a decrease in the levels of malondialdehyde, cholinesterase, nitric oxide (NO) and amyloid β by 47%, 34%, 53% and 59%, respectively, and increasing glutathione levels by 54%. Molecular docking studies suggested NZ neuroprotective effects to be mediated by inhibition of caspase‐3 and inducible nitric oxide synthase enzymes.
Practical applications
The current findings present the neuroprotective effect of Moringa oleifera seeds consumed as a food supplement and in daily diet. In addition, niazimicin is a promising lead for the development of novel agents against Alzheimer’s disease as seen by the reported results.
“…Limited docking studies of NZ with potential enzymes have been reported in literature (Khusro et al., 2020; Pangastuti et al., 2016). To the best of our knowledge, this is the first report of in silico docking of NZ to its target enzymes, caspase‐3 and iNOS.…”
Moringa oleifera (MO) known as the miracle tree is a famous nutritional source in many countries. In this study, the neuroprotective activity of MO seeds was investigated. Fractions of the 70% ethanol seed extract of MO were injected at a dose of 250 mg kg−1 day−1 to albino rats for 15 days, after‐which induction of dementia was done using 100 mg/kg AlCl3 over 30 days. Results revealed that all fractions ameliorated the effects of AlCl3 where methylene chloride and ethyl acetate fractions, containing the major bioactive compound niazimicin (NZ), showed the best activities. Biological investigations proved NZ to be a highly potent neuroprotective drug lead as a first report, by causing a decrease in the levels of malondialdehyde, cholinesterase, nitric oxide (NO) and amyloid β by 47%, 34%, 53% and 59%, respectively, and increasing glutathione levels by 54%. Molecular docking studies suggested NZ neuroprotective effects to be mediated by inhibition of caspase‐3 and inducible nitric oxide synthase enzymes.
Practical applications
The current findings present the neuroprotective effect of Moringa oleifera seeds consumed as a food supplement and in daily diet. In addition, niazimicin is a promising lead for the development of novel agents against Alzheimer’s disease as seen by the reported results.
Melissa officinalis
(Lamiaceae) was used to treat multiple human afflictions. Literary works demonstrated that it has many biological activities. Today’s research aims to recognise
Melissa officinalis
phyto-derived anti-viral compounds against main protease and spike protein of COVID-19, to gain insight into the molecular interactions. In the current study, 12 molecules taken from
Melissa officinalis
were analysed through docking, which is derived from the PubMed database. Docking experiments were conducted with Autodock tool. AdmetSAR and Data warrior servers were eventually used for drug-like prediction. Our research shows that three phytoconstituents from
Melissa officinalis
, namely, Luteolin-7-glucoside-3′-glucuronide, Melitric acid-A and Quadranoside-III have exhibited better binding affinity and stability with the targets of COVID-19 main protease and spike protein. The identified substances can be further extended for
in vitro
and
in vivo
studies to assess their effectiveness against COVID-19.
“…The crystal 3D structure of the following active compounds of Cinnamon were retrieved from PubChem database (O'Boyle et al, 2011). Drug-likeliness properties of ligands were analyzed for the selected active compounds using DruLiTo software (Pangastuti et al, 2016).…”
Section: Preparation Of Ligands and Analysis Of Drug Likelinessmentioning
Cinnamon has been utilized to remedy a lot of afflictions of humans. Literary works illustrate that it possesses numerous biological activities. Our research study is intended to recognize the phytoderived antiviral substances from Cinnamon against COVID-19 main protease enzyme and to understand the in silico molecular basis of its activity. In the present study, 48 isolates compounds from Cinnamon retrieved from the PubMed database, are subjected to docking analysis. Docking study was performed using Autodock vina and PyRx software. Afterwards, admetSAR, as well as DruLiTo servers, were used to investigate drug-likeness prophecy. Our study shows that the nine phytochemicals of Cinnamon are very likely against the main protease enzyme of COVID-19. Further MD simulations could identify Tenufolin (TEN) and Pavetannin C1 (PAV) as hit compounds. Utilizing contemporary strategies, these phyto-compounds from a natural origin might establish a reliable medication or support lead identification. Identified hit compounds can be further taken for in vitro and in vivo studies to examine their effectiveness versus COVID-19.
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