Rachid Daoud
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View article: Structure-Guided Design of Novel Diarylpyrimidine-Based NNRTIs Through a Comprehensive In Silico Approach: 3D-QSAR, ADMET Evaluation, Molecular Docking, and Molecular Dynamics
Structure-Guided Design of Novel Diarylpyrimidine-Based NNRTIs Through a Comprehensive In Silico Approach: 3D-QSAR, ADMET Evaluation, Molecular Docking, and Molecular Dynamics Open
Background/Objectives: The emergence of drug-resistant HIV-1 strains challenges the long-term efficacy of current antiretroviral therapies. Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are critical in HIV-1 treatment; however, …
View article: Computational design of quinazolin-4(3H)-one derivatives as multitarget inhibitors against angiogenesis and metabolic reprogramming to help overcome cancer resistance
Computational design of quinazolin-4(3H)-one derivatives as multitarget inhibitors against angiogenesis and metabolic reprogramming to help overcome cancer resistance Open
Dysfunction of receptor tyrosine kinases (RTKs) in angiogenesis significantly contributes to cancer progression. However, inhibiting primary angiogenesis pathways often leads to acquired resistance through various mechanisms, including alt…
View article: GRUMB: a genome-resolved metagenomic framework for monitoring urban microbiomes and diagnosing pathogen risk
GRUMB: a genome-resolved metagenomic framework for monitoring urban microbiomes and diagnosing pathogen risk Open
Summary Urban infrastructure hosts dynamic microbial communities that complicate biosurveillance and AMR monitoring. Existing tools rarely combine genome-resolved reconstruction with ecological modeling and batch-aware analytics tailored t…
View article: Unveiling the Nutrient Signatures in Corn (Zea mays L.) Grains: A Pivotal Indicator of Yield Potential
Unveiling the Nutrient Signatures in Corn (Zea mays L.) Grains: A Pivotal Indicator of Yield Potential Open
The composition simplex (N, P, K, Ca, and Mg) of the leaf is the main score used by different approaches, like the Diagnosis and Recommendation Integrated System and Compositional Nutrient Diagnosis, to study nutrient interactions and bala…
View article: Design and Optimization of Quinazoline Derivatives as Potent EGFR Inhibitors for Lung Cancer Treatment: A Comprehensive QSAR, ADMET, and Molecular Modeling Investigation
Design and Optimization of Quinazoline Derivatives as Potent EGFR Inhibitors for Lung Cancer Treatment: A Comprehensive QSAR, ADMET, and Molecular Modeling Investigation Open
The epidermal growth factor receptor (EGFR) is part of a protein family that controls cell growth and development. Due to its importance, EGFR has been identified as a suitable target for creating novel drugs. For this research, we conduct…
View article: Salsoline derivatives, genistein, semisynthetic derivative of kojic acid, and naringenin as inhibitors of A42R profilin-like protein of monkeypox virus: in silico studies
Salsoline derivatives, genistein, semisynthetic derivative of kojic acid, and naringenin as inhibitors of A42R profilin-like protein of monkeypox virus: in silico studies Open
Monkeypox virus (MPV) infection has developed into a re-emerging disease, and despite the potential of tecovirimat and cidofovir drugs, there is currently no conclusive treatment. The treatment’s effectiveness and cost challenges motivate …
View article: QSAR, ADMET, molecular docking, and dynamics studies of 1,2,4-triazine-3(2H)-one derivatives as tubulin inhibitors for breast cancer therapy
QSAR, ADMET, molecular docking, and dynamics studies of 1,2,4-triazine-3(2H)-one derivatives as tubulin inhibitors for breast cancer therapy Open
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 derivativ…
View article: Potent VEGFR-2 inhibitors for resistant breast cancer: a comprehensive 3D-QSAR, ADMET, molecular docking and MMPBSA calculation on triazolopyrazine derivatives
Potent VEGFR-2 inhibitors for resistant breast cancer: a comprehensive 3D-QSAR, ADMET, molecular docking and MMPBSA calculation on triazolopyrazine derivatives Open
More people are being diagnosed with resistant breast cancer, increasing the urgency of developing new effective treatments. Several lines of evidence suggest that blocking the kinase activity of VEGFR-2 reduces angiogenesis and slows tumo…
View article: Therapeutic efficacy of β-sitosterol treatment on Trypanosoma congolense infection, anemia development, and trans-sialidase (TconTS1) gene expression
Therapeutic efficacy of β-sitosterol treatment on Trypanosoma congolense infection, anemia development, and trans-sialidase (TconTS1) gene expression Open
Background African animal trypanosomiasis hinders sustainable livestock productivity in sub-Saharan Africa. About 17 million infected cattle are treated with trypanocides annually but most of the drugs are associated with drawbacks, necess…
View article: Unleashing Nature’s potential: a computational approach to discovering novel VEGFR-2 inhibitors from African natural compound using virtual screening, ADMET analysis, molecular dynamics, and MMPBSA calculations
Unleashing Nature’s potential: a computational approach to discovering novel VEGFR-2 inhibitors from African natural compound using virtual screening, ADMET analysis, molecular dynamics, and MMPBSA calculations Open
One of the characteristic features of cancer is angiogenesis, the process by which new, aberrant blood vessels are formed from pre-existing blood vessels. The process of angiogenesis begins when VEGF binds to its receptor, the VEGF recepto…
View article: Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitors
Multi-combined QSAR, molecular docking, molecular dynamics simulation, and ADMET of Flavonoid derivatives as potent cholinesterase inhibitors Open
In searching for a new and efficient therapeutic agent against Alzheimer’s disease, a Quantitative structure-activity relationship (QSAR) was derived for 45 Flavonoid derivatives recently synthesized and evaluated as cholinesterase inhibit…
View article: A bibliometric analysis of the global impact of metaproteomics research
A bibliometric analysis of the global impact of metaproteomics research Open
Background Metaproteomics is a subfield in meta-omics that is used to characterize the proteome of a microbial community. Despite its importance and the plethora of publications in different research area, scientists struggle to fully comp…
View article: Afro-TB dataset as a large scale genomic data of Mycobacterium tuberuclosis in Africa
Afro-TB dataset as a large scale genomic data of Mycobacterium tuberuclosis in Africa Open
Mycobacterium tuberculosis (MTB) is a pathogenic bacterium accountable for 10.6 million new infections with tuberculosis (TB) in 2021. The fact that the genetic sequences of M. tuberculosis vary widely provides a basis for understanding ho…
View article: Whole Genome Sequence of Bacillus anthracis MDMC_159, Isolated from the Moroccan Desert Erg Lihoudi
Whole Genome Sequence of Bacillus anthracis MDMC_159, Isolated from the Moroccan Desert Erg Lihoudi Open
We report the complete genome sequence of Bacillus anthracis strain MDMC_159, which was isolated from a deserted sandy area of Erg Lihoudi in southeastern Morocco. This strain is pathogenic and well adapted to the harsh conditions of the M…
View article: Afro-TB dataset
Afro-TB dataset Open
The main zipped file contains an excel sheet (StartHERE_AFRO_TB.xlsx) and three folders. The main excel file contains the list of mutations with corresponding antibiotic resistance for each of the 13753 genomes. The file also includes the …
View article: Hybrid Molecules as Potential Drugs for the Treatment of HIV: Design and Applications
Hybrid Molecules as Potential Drugs for the Treatment of HIV: Design and Applications Open
Human immunodeficiency virus (HIV) infection is a major problem for humanity because HIV is constantly changing and developing resistance to current drugs. This necessitates the development of new anti-HIV drugs that take new approaches to…
View article: Host Cell Proteases Mediating SARS-CoV-2 Entry: An Overview
Host Cell Proteases Mediating SARS-CoV-2 Entry: An Overview Open
The outbreak of the SARS-CoV-2 virus in late 2019 and the spread of the COVID-19 pandemic have caused severe health and socioeconomic damage worldwide. Despite the significant research effort to develop vaccines, antiviral treatments, and …
View article: Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus
Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus Open
Hepatitis C virus (HCV) is a serious disease that threatens human health. Despite consistent efforts to inhibit the virus, it has infected more than 58 million people, with 300,000 deaths per year. The HCV nonstructural protein NS5A plays …
View article: RETRACTED: Potamogeton perfoliatus L. Extract Attenuates Neuroinflammation and Neuropathic Pain in Sciatic Nerve Chronic Constriction Injury-Induced Peripheral Neuropathy in Rats
RETRACTED: Potamogeton perfoliatus L. Extract Attenuates Neuroinflammation and Neuropathic Pain in Sciatic Nerve Chronic Constriction Injury-Induced Peripheral Neuropathy in Rats Open
Sciatic nerve injury is often associated with neuropathic pain and neuroinflammation in the central and peripheral nervous systems. In our previous work, Potamogeton perfoliatus L. displayed anti-inflammatory, antipyretic and analgesic pro…
View article: Syzygium aqueum (Burm.f.) Alston Prevents Streptozotocin-Induced Pancreatic Beta Cells Damage via the TLR-4 Signaling Pathway
Syzygium aqueum (Burm.f.) Alston Prevents Streptozotocin-Induced Pancreatic Beta Cells Damage via the TLR-4 Signaling Pathway Open
Although several treatments are available for the treatment of type 2 diabetes mellitus, adverse effects and cost burden impose the search for safe, efficient, and cost-effective alternative herbal remedies. Syzygium aqueum (Burm.f.) Alsto…
View article: Pea (Pisum sativum) peel extract attenuates DOX-induced oxidative myocardial injury
Pea (Pisum sativum) peel extract attenuates DOX-induced oxidative myocardial injury Open
The goal of this work aimed to evaluate the protective effects of pea (Pisum sativum) peels extract versus doxorubicin-induced oxidative myocardial injury in male mice. The mice were divided into seven groups (n = 7): (I) control group; (I…
View article: Syzygium jambos extract mitigates pancreatic oxidative stress, inflammation and apoptosis and modulates hepatic IRS-2/AKT/GLUT4 signaling pathway in streptozotocin-induced diabetic rats
Syzygium jambos extract mitigates pancreatic oxidative stress, inflammation and apoptosis and modulates hepatic IRS-2/AKT/GLUT4 signaling pathway in streptozotocin-induced diabetic rats Open
The protective effect of Syzygium jambos (SJ) bark extract against streptozotocin-induced diabetes was tested in rats. Animals were treated with 100 or 200 mg/kg of the extract or glibenclamide, 0.5 mg/kg per os, once daily: started 2 days…
View article: Inoculation with Rhizophagus irregularis Does Not Alter Arbuscular Mycorrhizal Fungal Community Structure within the Roots of Corn, Wheat, and Soybean Crops
Inoculation with Rhizophagus irregularis Does Not Alter Arbuscular Mycorrhizal Fungal Community Structure within the Roots of Corn, Wheat, and Soybean Crops Open
Little is known about establishment success of the arbuscular mycorrhizal fungal (AMF) inocula and their effects on a soil-indigenous community of AMF. In this study, we assessed the effect of introducing Rhizophagus irregularis DAOM-19719…
View article: Proteomic and Metaproteomic Approaches to Understand Host–Microbe Interactions
Proteomic and Metaproteomic Approaches to Understand Host–Microbe Interactions Open
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTProteomic and Metaproteomic Approaches to Understand Host–Microbe InteractionsAmanda E. Starr*†, Shelley A. Deeke†, Leyuan Li†, Xu Zhang†, Rachid Daoud†, James Ryan†, Zhibin Ning†, Kai Cheng†, Lin…