A5063150507- Synthesis and biological activity
- Computational Drug Discovery Methods
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Metal complexes synthesis and properties
- Research on Leishmaniasis Studies
- Malaria Research and Control
- Trypanosoma species research and implications
- Phenothiazines and Benzothiazines Synthesis and Activities
- Synthesis and Characterization of Heterocyclic Compounds
- Enzyme function and inhibition
- Synthesis and Biological Evaluation
- Crystal structures of chemical compounds
- Crystallography and molecular interactions
- HIV/AIDS drug development and treatment
- Bioactive Compounds and Antitumor Agents
- Mitochondrial Function and Pathology
- Cancer, Hypoxia, and Metabolism
- Synthesis and Reactivity of Heterocycles
- Quinazolinone synthesis and applications
- Biochemical and Molecular Research
- Microbial Natural Products and Biosynthesis
- Psoriasis: Treatment and Pathogenesis
- ATP Synthase and ATPases Research
- Moringa oleifera research and applications
University of California, San Diego
2017-2024
University of Nigeria
2015-2024
Vellore Institute of Technology University
2022
University of Montana
2019
Center for Discovery
2017-2018
Naturally occurring anticancer compounds represent about half of the chemotherapeutic drugs which have been put in market against cancer until date. Computer-based or silico virtual screening methods are often used lead/hit discovery protocols. In this study, "drug-likeness" ∼400 from African medicinal plants that shown vitro and/or vivo anticancer, cytotoxic, and antiproliferative activities has explored. To verify potential binding to drug targets, interactions between 14 selected targets...
The search for pharmacologically effective agents among molecules bearing multiple functionalities is commonly practiced. In continuation of the new anti-malarial agents, pyrazole-hydrazine coupled Schiff-base derivatives previously synthesized were screened property.Here, in vivo prophylactic and curative activities compounds assessed while their binding affinity falcipain-2, a crucial enzyme Plasmodium survival, was done using computational techniques.The two (BepINH BepBeH) respectively...
Psorospermum febrifugum Spach is a flowering plant belonging to the family Hypericaceae. It has long history for its use in folk-loric medicines as remedy leprosy, epilepsy, insomnia, anxiety, subcutaneous wounds and skin diseases. The study was done evaluate antipsoriatic immunomodulatory properties of leaf stem bark extracts fractions P. febrifugum. also aimed identify phytochemical content most active fraction using TLC-GC–MS analysis. Aqueous ethanolic from were prepared tested...
Carboxamides bearing sulphonamide functionality have been shown to exhibit significant lethal effect on Plasmodium falciparum , the causative agent of human malaria. Here we report synthesis thirty-two new drug-like pyrolidine carboxamide derivatives and their antiplasmodial antioxidant capabilities. In addition, molecular docking was used check binding affinities for homology modelled P . N-myristoyltransferase, a confirmed drug target in pathogen. Results revealed that sixteen killed...
Twenty-three new series of toluene-sulfonamide dipeptide derivatives were synthesized and screened for antiplasmodial antioxidant potencies. Many the active against Plasmodium falciparum with IC50 ranging from 3.20 – 9.10 μM. The ability compounds 7h, 7m 7n (IC50 7.53, 7.21 6.01 μg/mL respectively) to scavenge DPPH free radicals comparable that ascorbic acid. Additionally, molecular docking disclosed four exhibited theoretical inhibition constant at submicromolar concentrations (Ki = 0.72,...
Abstract Background Psoriasis is an autoimmune inflammatory skin disease that affects 0.5–3% of the world’s population and current treatment options are posed with limitations. The reduced risk failure in clinical trials for repositioned drug candidates time cost-effectiveness has popularized reposition computational methods research community. Results study attempts to approved drugs psoriasis by docking about 2000 molecules against fifteen selected validated anti-psoriatic targets. results...
Penicillin binding proteins (PBPs) are normal constituents of bacterial which absent in mammalian cells. The theoretical modes known oxazin-5-ones toward the protein were used as a guide to synthesis new inhibitors. Structural studies protein-ligand complexes revealed that conformational discrepancies derivatives protein's site gave rise variation their inhibition constant ranged from 68.58 μM 2.04 mM. Biological assay results further confirmed antibiotic potencies studied compounds....
In most parts of the world, especially in underdeveloped countries, acquired immunodeficiency syndrome (AIDS) still remains a major cause death, disability, and unfavorable economic outcomes. This has necessitated intensive research to develop effective therapeutic agents for treatment human virus (HIV) infection, which is responsible AIDS. Peptide cleavage by HIV-1 protease an essential step replication HIV-1. Thus, correct timely prediction site can significantly speed up optimize drug...
Schistosomiasis is a parasitic protozoal disease caused by flatworms of the genus Schistosoma. Although threatens millions lives, it still at top list neglected tropical diseases and praziquantel, only common schistosocidal drug in use, has records decreasing efficiency cases resistance. Also, reports revealed that people rural areas, who are most affected, rely mostly on traditional herbal medicines because limited access to modern healthcare. The use computers development become routine...
Hexokinases (Hks) and mitochondrial complex I (MCI) are involved in the energy metabolism of cells; glycolysis/fermentation oxidative phosphorylation. Both Hks MCI known to play critical roles either divide metabolic plasticity which enables tumor progression proliferation presence chemotherapies. Therefore, targeting these enzymes important cancer drug resistance. Here, computational models for prediction inhibition were developed based on experimental data an optimal feature subset that...
Nanotechnology in cancer: A clinical reviewOjas Agrawal, Rutali Brahme, Morse Faria, Supriya Shidhaye
A new Schiff base, N'-(pyridin-3-ylmethylene)benzenesulfonohydrazide, was synthesized and characterized by elemental analysis, IR, Mass, 1H NMR 13C spectroscopy, single-crystal X-ray determination. The asymmetric molecule crystallized in the monoclinic crystal system P2(1)/c space group. Crystal data for C12H11N3O2S: a = 9.7547(4) Å, b 9.8108(4) c 13.1130(5) β 109.038(2)°, V 1186.29(8) Å3, Z 4, μ(MoKα) 0.270 mm-1, Dcalc 1.463 g/cm3, 13338 reflections measured (5.296° ≤ 2Θ 55.484°), 2790...
The Antibiogram properties of 1-chloro-2-isocyanatoethane derivatives thiomorpholine (CTC), piperazine (CPC) and morpholine (CMC) were evaluated by the approved agar well diffusion, minimum inhibitory concentration (MIC) in silico techniques. A total fourteen microbial cultures consisting ten bacteria four yeast strains used biological study while affinity compounds for DNA gyrase, a validated antibacterial drug target, was investigated docking method. Results indicate that both had zero...
Quinolinequinones (Qq) and naphthoquinones (Nq) are known for their broad spectrum of biological activities computational techniques now used in drug research because they cost time effective. In the present study, a series anilino aryl derivatives quinolinequinone showed potency against Gram negative positive bacteria (Escherichia coli Staphylococcus aureaus respectively) at MIC range 1.6-25 mg/ml. Four out twenty-four compounds inhibited both studied (1.6-12.5 mg/ml) lower than standard –...