The spread of the global COVID-19 pandemic, lack specific treatment and urgent situation requires use all resources to remedy this scourge. In present study, using molecular docking, we identify new probable inhibitors by molecules from Nigella sativa L , which is highly reputed healing herb in North African societies both Islamic Christian traditions. discovery M pro protease structure provides a great opportunity potential drug candidates for treatment. Focusing on main proteases CoVs (3CL...

<p>The spread of the global COVID-19 pandemic, lack specific treatment and urgent situation requires use all resources to remedy this scourge. In present study, using molecular docking, we identify new probable inhibitors by molecules from <i>Nigella sativa L</i>, which is highly reputed healing herb in North African societies both Islamic Christian traditions. The discovery M<sup>pro</sup> protease structure provides a great opportunity potential drug...

In the current study, chemical composition, antioxidant, α-glucosidase, α-amylase and cholinesterase inhibitory activities of wormwood rosemary essential oils were investigated. order to explain interaction constituents with enzymes, molecular docking tools used. GC/MS analyses revealed that main compounds oil eucalyptol (37.97%), followed by camphor (11.84%). Whereas β-copaene (16.22%), limonene (14.56%), (14.49%) (13.74%) represent oil. Moreover, antioxidant abilities assessed DPPH radical...

Analysis of trace elements and heavy metals in honey is essential for quality safety also monitoring environmental pollution. This study aimed to evaluate the composition thirty-seven samples different botanical origins (14 multifloral 23 unifloral) obtained from beekeepers located west region Algeria. Inductively coupled plasma-mass spectrometry (ICP-MS) atomic absorption spectroscopy (AAS) methods were used determine levels 19 (K, Na, Ca, Mg, Mn, Cu, Fe, Zn, V, Cr, Co, As, Ru, Rh, Cd, W,...

The spread of the global COVID-19 pandemic, lack specific treatment and urgent situation requires use all resources to remedy this scourge. In present study, using molecular docking, we identify new probable inhibitors by molecules from Nigella sativa L, which is highly reputed healing herb in North African societies both Islamic Christian traditions. discovery Mpro protease structure provides a great opportunity potential drug candidates for treatment. Focusing on main proteases CoVs...

Background: In medicinal chemistry, the discovery of small organic molecules that can be optimized and lead to a future drug capable effectively modulating biological activity therapeutic target remains major challenge. Because harmful secondary effects synthesized molecules, development research has been oriented towards phytomedicines. Phenolic compounds from plants are constantly explored for new use. Methods: this paper, we studied interactions between main enzymes responsible causing...

Background:: The aim of this study is to use modeling methods estimate the antiviral activity natural molecules extracted from Ginkgo biloba for treatment variola which a zoonotic disease posing growing threat human survival. recent spread in nonendemic countries and possibility its as bioterrorism weapon have made it global once again. Therefore, search new therapies with reduced side effects necessary. Methods:: In study, we examined interactions between polyphenolic compounds biloba,...

Background: Diabetes type II is one of the most serious metabolic diseases in world attracting attention many researchers who predict that diabetes will be top major causes disability or death coming few decades. To tackle this disease several classes synthetic molecules were developed to target certain enzymes are involved sugar metabolism. Herbal extracts targeting have witnessed renascence last decades with introduction highly effective herbal remedies effectively regulate levels blood....

The accumulation of large and small plastic debris is a problem throught the world’s seas coastlines. Azew gulf an important southern West Mediterranean coast receiving discharges from many sources. Abundance sizes in ten stations intertidal sediments have been reported this study. results present study shows high fragments up to 13.9 % mostly were size between 0.5 cm 01 cm. abundance could be associated with coastal urban centers their anthropogenic activities (waste rejection). presence...

Algeria as an important North African and Mediterranean country with remarkable bioclimatic, edaphic, political characteristics is under many sorts of negative stress affecting considerably alimentary dependence. Today, Algerian agriculture presents a worrying record. Several warning signs show that the sector only surviving thanks to massive imports milk, grains, seeds chemical fertilizers. The current agricultural model overtaken by dependence on foreign markets recourse costly public...

Clove (<i>Syzygium aromaticum</i>) is precious spice used over the world in cuisine and medical treatment. Essential clove oil contains many bioactive molecules which have therapeutic interest. In this work we study interactions of DPP-4 enzyme (responsible diabetes type 2) with main contained essential using molecular mechanic, dynamics docking (method predicts preferred orientation one molecule to a second when bound each other form stable complex). Molecular Operating Environment software...

Journal of Pharmaceutical Research International (ISSN: 2456-9119) is dedicated to publish high quality papers in all areas pharmaceutical Science including drugs, community pharmacy, hospital clinical compounding consultant internet veterinary nuclear military pharmacy informatics, pharmaceutics, medicinal chemistry, pharmacognosy, pharmacotherapy, pharmacodynamics, pharmacokinetics, pharmacology, neuropharmacology, psychopharmacology, pharmacogenetics, pharmacogenomics,...

Molecular Docking and Simulation studies of Farnesyl Trasnferase with the potential inhibitor TheflavinR. Balajee, M. S. Dhana Rajan

Background: Colorectal cancer (CRC) is a major contributor to cancer-related deaths worldwide, driving the need for effective anticancer therapies with fewer side effects. The exploration of Ginkgo biloba, natural source, offers hopeful avenue novel treatments targeting key colorectal biomarkers involved in CRC treatment. Objective: aim this study was explore binding affinity molecules derived from G. biloba essential associated CRC, including Kirsten rat sarcoma virus, neuroblastoma RAS...

Abstract Hypertension, a major contributor to global mortality, requires comprehensive management including lifestyle changes and medication. This study explores the potential of natural compounds from Zygophyllum sp as Angiotensin-converting enzyme (ACE) inhibitors, key class antihypertensive drugs. Using molecular docking methodology, we investigated inhibitory effects these on ACE (PDB: 1UZF). Our work demonstrated that several molecules exhibited promising binding scores compared...

Pollution of the environment can be determined by means biological methods with help bioindicators-organisms which give information on quality vance their environment. In present study first trace mercury bio-monitoring using seabirds’ dejections is investigated in Arzew gulf. Excrements analysis from ten stations ICP-MS shows high level (Hg) contamination up to 2.27 ± 0.05 µg.g-1. Dejections’ due bioaccumulation via web food owing presence this contaminant coastal area coming anthropogenic...

Inhibition of Acetylcholinesterase (AChE) is an important approach for Alzheimer's disease (AD) treatment.Different synthetic and natural inhibitors are used inhibition.Synthetic Polyphenols (Tacrine, Donepezil, Rivastigmine, Galantamine) Natural molecules from Green tea which mainly contains catechins (Epicatechin, Epicatechin Gallate, Epigallocatechin, Epigallocatechin Gallate) to inhibit Acetylcholinesterase.In this work we use molecular docking methods identify the ligand has best...

To treat Alzheimer&rsquo;s Disease (AD), which is the most prevalent form of dementia, cholinesterase enzymes (AChE and BuChE) amyloid-beta (A&beta;) are attractive targets. In this work, different computational approach namely Density Functional Theory (DFT), Molecular Docking, multi-QSAR modeling were performed on 22 donepezil-based derivatives reported as potent dual A&beta; inhibitors. The molecular geometries studied carried ou

Blood pressure disorder causes serious diseases in the cardiovascular system such as arterial hypertension. According to World Health Organization, an estimated 1.13 billion people worldwide have hypertension, and most of them (two-thirds) live low- middle-income countries. It is poorly controlled constitutes one leading premature death. In Africa, nearly 40% adults many countries high blood pressure, but wouldn't even know it. 2019, Algeria announced that 24% population suffers from...