Browsing by Author "Onoka, Isaac"
Now showing items 1-5 of 5
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Abrogating the nsp10–nsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study
Vuai, Said; Onoka, Isaac; Sahini, Mtabazi; Swai, Hulda; Shadrack, Daniel (Taylor & Francis Online, 2021-09-14)The search for therapeutic small molecules and vaccines for Covid-19 treatment is an urgent but evolving topic. The virus has claimed over 3,782,490 lives (as of 12 June 2021), with the figure expected to rise due to the ... -
Geometrical Structure, Vibrational Spectra and Thermodynamic Properties of Chitosan Constituents by DFT Method
Onoka, Isaac; Pogrebnoi, Alexander M.; Pogrebnaya, Tatiana P. (Science Publishing Group, 2014-08-10)The interaction between glucosamine molecules has been studied theoretically. The geometrical structures of monomer (A), dimer (AA) and trimer (AAA) molecules of glucosamine were optimized and vibrational spectra were ... -
Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics
Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Onoka, Isaac; Vianney, John-Mary; Swai, Hulda; Nyandoro, Stephen (Springer Nature, 2021-07-08)Natural products have served human life as medications for centuries. During the outbreak of COVID-19, a number of naturally derived compounds and extracts have been tested or used as potential remedies against COVID-19. ... -
Preparation of activated carbon with disered properties through optimization of impregnating agent
Mutegoa, Eric; Onoka, Isaac; Hilonga, Askwar (Rjeas, 2014)In this study, activated carbon with desired properties was prepared from peanut shell and sugarcane bagasse using chemical activation method in which potassium hydroxide (KOH) was used as a impregnating agent. The ... -
Relaxed complex scheme and molecular dynamics simulation suggests small molecule inhibitor of human TMPRSS2 for combating COVID-19
Vuai, Said; Ogedjo, Marcelina; Onoka, Isaac; Sahini, Mtabazi; Swai, Hulda; Shadrack, Daniel (Taylor & Francis online, 2021-11-09)As the coronavirus disease 19 (COVID-19) pandemic continues to pose a health and economic crisis worldwide, the quest for drugs and/or vaccines against the virus continues. The human transmembrane protease serine 2 (TMPRSS2) ...