A5051676857- Computational Drug Discovery Methods
- Synthesis and biological activity
- SARS-CoV-2 and COVID-19 Research
- Chemical Synthesis and Reactions
- Histone Deacetylase Inhibitors Research
- Synthetic Organic Chemistry Methods
- Malaria Research and Control
- Multicomponent Synthesis of Heterocycles
- Advanced Breast Cancer Therapies
- Milk Quality and Mastitis in Dairy Cows
- Phenothiazines and Benzothiazines Synthesis and Activities
- Multiple Myeloma Research and Treatments
- HER2/EGFR in Cancer Research
- Cholinesterase and Neurodegenerative Diseases
- Chemical synthesis and alkaloids
- Reproductive Physiology in Livestock
- Synthesis of β-Lactam Compounds
- Advanced biosensing and bioanalysis techniques
- Phytochemistry and Bioactive Compounds
- Tuberculosis Research and Epidemiology
- Click Chemistry and Applications
- Cancer therapeutics and mechanisms
- Estrogen and related hormone effects
- Microbial Natural Products and Biosynthesis
- Synthesis of Organic Compounds
University of Gezira
2021-2023
Université de Tours
2021
The current novel corona virus illness (COVID-19) is a developing viral disease that was discovered in 2019. There currently no viable therapeutic strategy for this management. Because traditional medication development and discovery has lagged behind the threat of emerging re-emerging illnesses like Ebola, MERS-CoV, and, more recently, SARS-CoV-2. Drug developers began to consider drug repurposing (or repositioning) as option method. goal uncover new uses an approved or investigational...
Breast cancer (BC) is one of the main types that endangers women's lives. The characteristics triple-negative breast (TNBC) include a high rate recurrence and capacity for metastasis; therefore, new therapies are urgently needed to combat TNBC. Dual targeting HDAC6 Hsp90 has shown good synergistic effects in treating metastatic goal this study was find potential dual inhibitors. Therefore, several silico approaches have been used. An e-pharmacophore model generation based on HDAC6-ligand...
Triple-negative breast cancer (TNBC) is an aggressive malignancy that requires effective targeted drug therapy. In this study, we employed in silico methods to evaluate the efficacy of seven approved drugs against human ck2 alpha kinase, a significant modulator TNBC metastasis and invasiveness. Molecular docking revealed co-crystallized reference inhibitor 108600 achieved score (-7.390 kcal/mol). Notably, among tested, sunitinib, bazedoxifene, etravirine exhibited superior scores compared...
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) emergence has resulted in a global health crisis. As consequence, discovering an effective therapy that saves lives and slows the spread of pandemic is concern currently. In silico drug repurposing highly regarded as precise computational method for obtaining fast reliable results. Transmembrane serine-type 2 (TMPRSS2) SARS CoV-2 enzyme essential viral fusion with host cell. Inhibition TMPRSS2 may block or lessen severity...
Myeloid cell leukemia-1 (Mcl-1) is a protein that belongs to large group of proteins called B lymphoma-2 (Bcl-2) which are involved in controlling apoptosis via interacting with other Bcl-2 family. Various studies showed Mcl-1 overexpressed cancer cells. Thus, it promising target for treatment. In the present study, silico drug design approaches were applied on library 33 coumarin derivatives inhibitory activity. Firstly, 3D-QSAR study was performed using Gaussian field-based QSAR resulting...
Non-Hodgkin’s lymphomas are a diverse collection of lymphoproliferative cancers that much less predictable than Hodgkin’s with far greater tendency to metastasize extranodal sites. A quarter non-Hodgkin’s lymphoma cases develop at sites and the majority them involve nodal The most common subtypes include follicular lymphoma, chronic/small lymphocytic leukaemia, mantel cell marginal zone lymphoma. Umbralisib is one latest PI3Kδ inhibitors in clinical trials for several hematologic cancer...
Breast cancer is a leading cause of cancer-related morbidity and mortality worldwide, with the highest incidence among women. Among various subtypes breast cancer, estrogen-receptor positive (ER+) most diagnosed. Estrogen upregulates cyclin D1, which in turn promotes activity CDK4/6 facilitates cell cycle progression. To address this, first-line treatment for ER+ focuses on inhibiting estrogen production by targeting aromatase, enzyme responsible rate-limiting step synthesis. Thus, combining...
Cancer is considered one of the worldwide life-threatening and leading causes human mortality. In 2020, 19,292,789 cancer cases 9,958,133 deaths have been estimated worldwide. Therefore, efforts devoted to discover novel anticancer agents. Bromodomains a vital role in regulation transcription. Many reports shown that bromodomain-containing protein 4 (BRD4) an important target for therapeutics. this study, several silico approaches were utilized new inhibitors against BRD4 using Schrodinger...
Plasmodium falciparum dihydrofolate reductase enzyme (P. DHFR) is one of the vital drug targets for malaria treatment, as this protein indispensable nucleotide metabolic pathways. This research aimed to discover promising phthalide derivatives against both wild and mutant P. DHFR enzymes through various computational techniques. The binding affinities were investigated using molecular docking, which showed five compounds having highest affinity scores compared reference compounds. MM-GBSA...