Channels Integration of In Silico and In Vitro ADMET properties in lead identification and optimization of compounds for the treatment of parasitic diseases
Antibacterial and Antioxidant Activities, in silico Molecular Docking, ADMET and DFT Analysis of Compounds from Roots of Cyphostemma cyphopetalum
Synthesis, antimalarial evaluation, Ç-hematin inhibition, and in silico and in vitro ADMET profiling of 4-aminoquinoline-hydroxypyridinone hybrids
In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis
Molecular Docking and ADMET Analysis of Selected Polyphenols Targeting Acetylcholinesterase: An In Silico Approach
Homology-based in silico identification of putative protein-ligand interactions in the malaria parasite
In silico and in vitro inhibition of α- glucosidase and α-amylase by compounds from culinary herbs and spices, for possible treatment of type 2 diabetes
In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of pancreatic alpha-amylase and alpha-glucosidase by rutin, caffeic acid, p-coumaric acid, and vanillin
In silico docking and ADMET studies on clinical targets for type 2 diabetes correlated to in vitro inhibition of α-glucosidase and pancreatic α-amylase by curcumin, 18α-glycyrrhetinic acid, rosmarinic acid, and quercetin
Assessing the in vitro efficacy of in silico designed compounds targeting the malarial Qi site of cytochrome bc1
In Vitro Medicinal Properties of Novel Compounds from Croton steenkampianus
In silico synthesis of analogous lead libraries for drug design by molecular enumeration
In silico design, synthesis and in vitro evaluation of antimitotic agents
In silico and in vitro analysis of calcific and rheumatic aortic stenosis
In silico identification and in Vitro assessment of a potential anticancer peptide sequence retrieved from the red sea metagenomics library
In Silico analysis of malaria parasite databanks for specific genes and motifs associated with immune evasion
In silico prediction of host-pathogen protein - protein interactions in the malaria parasite, Plasmodium falciparum
Combining in silico and in vitro approaches to discover novel inhibitors of Acetylcholinesterase
The characterization of pharmacokinetic properties and evaluation of in vitro drug combination efficacies of novel antimalarial compounds
Antiproliferative Efficacy of Kaempferol on Cultured Daudi Cells: An In Silico and In Vitro Study
Identification of the factors that lead to dispersal and inbreeding
Pharmacological investigation of formyl and acetyl substituents on piperazine: Docking, ADMET and Molecular Dynamics Simulations
In vitro efficacy assessment of targeted antimalarial drugs synthesized following in silico design
Potential of South African medicinal plants as treatments for Alzheimer’s disease through Aβ42 protein reduction and identification of their active compounds
In vitro anti-HIV-1 properties of ethnobotanically selected South African plants used in the treatment of sexually transmitted diseases
Synthesis and biological evaluation of thiazole and metergoline derivatives as antimycobacterial and antiplasmodial agents
Synthesis, structure-activity relationship and solubility improvement studies of potential antimalarial and antischistosomal pyrido[1,2-a]benzimidazoles
Small molecule inhibitors of parasitic enzymes
Antiplasmodial neolignans from Trema orientalis : identification, synthesis and analogue generation.
Synthesis, pharmacological and physicochemical profiling of antimalarial and antischistosomal N-aryl 3-trifluoromethyl pyrido [1,2-α] benzimidazoles
Design, synthesis and evaluation of potential dual drugs targeting the haemoglobin degradation pathway in the malaria parasite Plasmodium falciparum
Synthesis and profiling of antimalarial side-chain modified pyrido[1,2-a]benzimidazoles
Synthesis of aminomethylthiazole analogues for evaluation as antiplasmodial agents
Synthesis and Antimalarial evaluation of Gold Thiosemicarbazone Complexes and Polyamine-Thiosemicarbazone Dendrimers
Repurposing chlorpromazine and its metabolites for antituberculosis drug discovery
A medicinal chemistry approach to drug repositioning in the treatment of tuberculosis and malaria
Repositioning fusidic acid for tuberculosis: semi-synthesis of analogues and impact of mycobacterial biotransformation on antibiotic activity
Antiprotozoal quinolines containing electrophilic moieties
Novel Antimalarial and Antitubercular Agents Based on Natural Products
Isolation and characterization of African marine natural products and repositioning of the natural product antibiotic fusidic acid and privileged benzimidazole scaffold for tuberculosis and malaria
Synthesis and evaluation of hybrid compounds based on antimalarial and anticancer pharmacophores
Exploring the potential of xanthene derivatives as inhibitors of trypanothione reductase and resistance reversal agents
Investigating the chemical space and metabolic bioactivation of natural products and cross-reactivity of chemical inhibitors in CYP450 phenotyping
Ferrocenic metal chelators : synthesis, biological and electrochemical studies
Piperazine-based pyrido[1,2-a]benzimidazoles: synthesis and pharmacological evaluation as potential antimalarial and antischistosomal agents
Bioactive chloroquine-based ligands and their gold complexes as potential novel antimalarial agents
Synthesis and evaluation of D-cycloserine analogues against mycobacterium tuberculosis
Antimalarial drug rescue through safety improvement: design, synthesis and evaluation of amaodiaquine analogues
Developing methods to prioritize in vitro drug combinations against Mycobacterium tuberculosis: fusidic acid as potential combination partner with known antitubercular agents
