Design of New Aromatic Tertiary Amine-based as Butyrylcholinesterase Inhibitors Relying on Molecular Docking, ADME-Tox and Molecular Dynamics.

Introduction: Butyrylcholinesterase (BChE) plays a pivotal role in the progression of Alzheimer's disease. Empirical research demonstrated a fundamental alteration in the role of BChE concerning the reduction of cholinergic neurotransmission within the brains of individuals at advanced stages of Alzheimer's.

Method: This study focuses on developing potent inhibitors for Butyrylcholinesterase (BChE) in the context of Alzheimer's disease (AD) treatment.

Biofertilizer and biostimulant potentials of phosphate-solubilizing Bacillus subtilis subsp. subtilis M1 strain and silicon in improving low phosphorus availability tolerance in rosemary.

The present study aimed to evaluate the single and combined effects of Si exogenous treatment and Bacillus subtilis subsp. subtilis M1 strain inoculation on rosemary tolerance to low phosphorus (P) availability. Hence, rosemary plants were fertilized with 250 µmol Ca3HPO4 (stressed plants) or 250 µmol KH2PO4 (control plants) under Si treatment and B.

An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE.

Acetylcholinesterase (AChE) is one of the main drug targets for treating Alzheimer's disease. This current study relies on multiple molecular modeling approaches to develop new potent inhibitors of AChE. We explored a 2D QSAR study using the statistical method of multiple linear regression based on a set of substituted 5-phenyl-1,3,4-oxadiazole and N-benzylpiperidine analogs, which were recently synthesized and proved their inhibitory activities against acetylcholinesterase (AChE).

Exploring Damage Patterns in CFRP Reinforcements: Insights from Simulation and Experimentation.

Carbon Fiber Reinforced Polymers (CFRP) have become increasingly significant in real-world applications due to their superior strength-to-weight ratio, corrosion resistance, and high stiffness. These properties make CFRP an ideal material for reinforcing concrete structures, particularly in scenarios where weight reduction is crucial, such as in bridges and high-rise buildings. The transformative potential of CFRP lies in its ability to enhance the durability and load-bearing capacity of concrete structures while minimizing maintenance costs and extending the lifespan of the infrastructure.

A comprehensive review on ethnomedicinal uses, phytochemistry, toxicology, and pharmacological activities of (L.) Greuter.

is a perennial herb that has been used for generations in traditional medicine to address a variety of diseases, including diabetes, hypertension, cancer, microbial disorders, inflammatory conditions, and wound healing. The objective of this review is to provide an overview of existing knowledge on with regards to its botanical description, ethnomedicinal uses, and pharmacological properties. Databases such as Scopus, Wiley-Online, PubMed, Springer, Google Scholar, and ScienceDirect were used to select relevant articles based on their title and abstract.

QSAR, ADMET, molecular docking, and dynamics studies of 1,2,4-triazine-3(2H)-one derivatives as tubulin inhibitors for breast cancer therapy.

Breast cancer remains a leading cause of cancer-related deaths among women globally, necessitating the development of more effective therapeutic agents with minimal side effects. This study explores novel 1,2,4-triazine-3(2H)-one derivatives as potential inhibitors of Tubulin, a pivotal protein in cancer cell division, highlighting a targeted approach in cancer therapy. Using an integrated computational approach, we combined quantitative structure-activity relationship (QSAR) modeling, ADMET profiling, molecular docking, and molecular dynamics simulations to evaluate and predict the efficacy and stability of these compounds.

QSAR modeling for cytotoxicity of sulfur-containing Shikonin oxime derivatives targeting HCT-15, MGC-803, BEL-7402, and MCF-7 cell lines.

Targeting cancer cells through drug-based treatment or combination therapy protocols involving chemical compounds can be challenging due to multiple factors, including their resistance to bioactive compounds and the potential of drugs to damage healthy cells. This study aims to investigate the relationship between the structure of novel sulfur-containing shikonin oxime compounds and the corresponding cytotoxicity against four cancer types, namely colon, gastric, liver, and breast cancers, through computational chemistry tools. This investigation is suggested to help build insights into how the structure of the compounds influences their activity and understand the mechanisms behind it and subsequently might be used in multi-cancer drug design process to propose novel optimized compounds that potentially exhibit the desired activity.

Molecular detection and genotyping of human herpes virus 8 in blood donors in Congo.

Objectives: Human herpesvirus 8 (HHV8) is rarely studied in Congo, despite its prevalence in Africa. Among healthy individuals, HHV-8 does not always lead to a life-threatening infection; however, in immunocompromised individuals, it could lead to more severe disease. The distribution of HHV-8 genotypes varies depending on ethnicity and geographic region.

Physics-informed machine learning algorithms for forecasting sediment yield: an analysis of physical consistency, sensitivity, and interpretability.

The sediment transport, involving the movement of the bedload and suspended sediment in the basins, is a critical environmental concern that worsens water scarcity and leads to degradation of land and its ecosystems. Machine learning (ML) algorithms have emerged as powerful tools for predicting sediment yield. However, their use by decision-makers can be attributed to concerns regarding their consistency with the involved physical processes.

Synthesis, Antimicrobial, Molecular Docking Against Bacterial and Fungal Proteins and In Silico Studies of Glucopyranoside Derivatives as Potent Antimicrobial Agents.

Carbohydrate derivatives play a crucial roles in biochemical and medicinal research, especially in the fields of chemistry and biochemistry. From this perspective, the present study was designed to explore the synthesis of methyl α-D-glucopyranoside derivatives (1-8), focusing on their efficacy against bacterial and fungal inhibition. The structure of the synthesized compounds was ascertained using FTIR, H-NMR, C-NMR, mass and elemental analyses.

Assessing Moroccan physician knowledge and practices regarding maternal obesity's impact on childhood obesity: Implications for prevention and intervention.

Background: Childhood obesity is a growing global concern with far-reaching health implications. This study focuses on evaluating the knowledge and practices of physicians in Morocco regarding the link between maternal obesity and childhood obesity. Despite the increasing prevalence of childhood obesity worldwide, this issue remains inadequately addressed in the Moroccan context.

The Development and Evaluation of a New Inactivated Vaccine against subsp. .

subsp. (Mcc) and subsp. (Mccp) are pathogens that affect large and small ruminants.

Improving dietary citric acid production by the wild-type ASP26 strain isolated from date by-product.

This research investigates citric acid (CA) synthesis using the indigenous strain ASP26, which was isolated from date by-products. The study initially involved isolating fungi capable of CA production and identifying the most potent strain based on its characteristic enzymatic activity. ASP26 was acknowledged in a previous study for its remarkable ability to produce extracellular enzymes, such as cellulase and amylase, which enable it to degrade organic materials effectively.

The Use of Traditional and Complementary Medicine Among Patients With Multiple Sclerosis in Morocco.

Background: Multiple sclerosis (MS) is an acquired chronic, autoimmune, and neurodegenerative disease of the central nervous system. In addition to conventional MS therapy, patients are interested in traditional and complementary medicine (T&CM). Our study aims to describe the use of T&CM in a cohort of Moroccan patients with MS.

Elaboration of an innovative plant biomaterial for its valorization in the treatment of wastewater.

The global scientific community is deeply concerned about the deterioration of water quality resulting from the release of industrial effluents. This issue is of utmost importance as it serves to safeguard the environment and combat water pollution. The objective of this work is to elaborate a biomaterial of vegetable origin, based on the twigs of Aleppo pine, and to use it as an abundant and less expensive material for the treatment of wastewater.

Gene expression profiling of and in HTLV-1 positive blood donors in Congo.

Objectives: The HTLV-1 infection persists for life, remaining as asymptomatic viral reservoirs in most patients, ensuring the chain of transmission, but around 4% develop adult T-cell leukemia/lymphoma (ATLL). HTLV-1 is an oncogenic retrovirus that transforms CD4 T lymphocytes and deregulates the lymphoproliferative pathways that contribute to the development of ATLL. To achieve cell transformation, most oncogenic retroviruses use proto-oncogene capture transduction, with proviral integration disrupting the expression of tumor suppressors or proto-oncogenes.

Exploration of a Novel ICMT Inhibitor with More Solubility than Cysmethynil against Membrane Localization of KRAS Mutant in Colorectal Cancer.

Background: ICMT (isoprenylcysteine carboxyl methyltransferase) is an enzyme that plays a key role in the post-translational modification of the K-Ras protein. The carboxyl methylation of this protein by ICMT is important for its proper localization and function. Cysmethynil (2-[5-(3-methylphenyl)-l-octyl-lH-indolo-3-yl] acetamide) causes K-Ras mislocalization and interrupts pathways that control cancer cell growth and division through inhibition of ICMT, but its poor water solubility makes it difficult and impractical for clinical use.

Impact of and variants on HIV-1 susceptibility and progression to AIDS: a case-control study in a Moroccan population.

Interleukin-6 (IL-6), a pro-inflammatory cytokine, is an important regulator of the inflammatory immune response. We aimed to assess the association of common single nucleotide polymorphisms (SNPs) in (rs1800795 G > C, rs1800797 A > G) and () (rs2228145 A > C) genes with HIV-1 infection, AIDS progression, and response to treatment. In this case-control study involving 199 individuals living with HIV-1 and 200 HIV-uninfected controls, we conducted genotyping of SNPs using TaqMan real-time PCR assays.

Development and Efficacy of the Antivenom Specific to Severe Envenomations in Morocco and North Africa: Advancements in Scorpion Envenomation Management.

Scorpion envenomation poses a global public health issue, with an estimated 1,500,000 cases worldwide annually resulting in 2600 deaths. North Africa, particularly Morocco, experiences severe envenomations, mainly attributed to and in Morocco, and and in Algeria and Tunisia, with case numbers often underestimated. Current treatment relies mainly on symptomatic approaches, except in Morocco, where management is limited to symptomatic treatment due to controversies regarding specific treatment.

Harnessing LSTM and XGBoost algorithms for storm prediction.

Storms can cause significant damage, severe social disturbance and loss of human life, but predicting them is challenging due to their infrequent occurrence. To overcome this problem, a novel deep learning and machine learning approach based on long short-term memory (LSTM) and Extreme Gradient Boosting (XGBoost) was applied to predict storm characteristics and occurrence in Western France. A combination of data from buoys and a storm database between 1996 and 2020 was processed for model training and testing.

Clinicopathological characteristics and tumor infiltrating immune cells associations of PD-L1 tumor expression in non-small cell lung cancer patients.

Aim: Our study aimed to perform on Moroccan patients' non-small cell lung carcinoma (NSCLC) concerning the relationship between PD-L1 tumor expression, clinicopathological features and tumor infiltrating immune cells (ICs).

Methods: This is a retrospective study (2019 to 2021) conducted on samples from Moroccan patients with NSCLC at the Pathological Anatomy Laboratory of Ibn Rochd University Hospital in Casablanca. Eligible participants for our study had to meet the following predefined criteria: age ≥18 years, histologically confirmed NSCLC, no prior therapeutic interventions, availability of clinical and pathological data, and a usable tumor sample for determining PD-L1 status.

(L.) Haw in skin carcinogenesis: insights from an male Swiss mouse model study.

Skin cancer is the most widespread type of malignant tumor representing a major public health concern. Considering the numerous side effects associated with conventional treatments, phytotherapy may be regarded as a viable medicinal alternative. This study aimed to investigate the therapeutic potential of (L.