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
