Donatus Bekindaka Eni

University of Buea · Department of Chemistry

The emergence of the severe acute respiratory syndrome 2 (SARS-CoV-2) as a global threat has driven the urgent need for the identification of bioactive molecules capable of controlling or completely eradicating this virus. Our group has been investigating isatin hybrids that block the binding of the human angiotensin-converting enzyme 2 (ACE2) and...

The emergence of severe acute respiratory syndrome 2 (SARS-CoV-2) as a global threat has driven the urgent need for the identification of bioactive molecules capable of controlling or completely eradicating this virus. In that light, our group has been investigating isatin hybrids that block the binding of the viral spike with the human angiotensin...

We report the outcomes of the second session of the free online open-access workshop "Computational Applications in Secondary Metabolite Discovery (CAiSMD) Fidele Ntie-Kang and Donatus B. Eni contributed equally to this work. 2022" that took place from 09 to 11 March 2022. The first session was held from 08 to 10 March 2021 and drew the attention o...

Isatin (indol-2,3-dione), a secondary metabolite of tryptophan, has been used as the core structure to design several compounds that have been tested and identified as potent inhibitors of apoptosis, potential antitumor agents, anticonvulsants, and antiviral agents. In this work, several analogs of isatin hybrids have been synthesized and character...

The emergence of diverse infections worldwide, which is a serious global threat to human existence, necessitates the urgent development of novel therapeutic candidates that can combat these diseases with efficacy. Molecular hybridization has been established as an efficient technique in designing bioactive molecules capable of fighting infections....

The emergence of diverse infections worldwide, which is a serious global threat to human existence, necessitate the urgent development of novel therapeutic candidates that can combat these diseases with efficacy. Isatin, a secondary metabolite from tryptophan is considered a privileged scaffold and favorable pharmacophore with a unique structural m...

Chemical prototypes with broad-spectrum antiviral activity are important toward developing new therapies that can act on both existing and emerging viruses. Binding of the SARS-CoV-2 spike protein to the host angiotensin-converting enzyme 2 (ACE2) receptor is required for cellular entry of SARS-CoV-2. Toward identifying new chemical leads that can...

Isatin (indol-2,3-dione), a secondary metabolite of tryptophan has been used as the core structure in the designation of several compounds that have been tested and identified as potent inhibitors of apoptosis, potential antitumor agents, anticonvulsants, and antiviral agents. In this work, several analogues of isatin hybrids have been synthesized...

The application of traditional medicine by humans for the treatment of ailments as well as improving the quality of life far outdates recorded history. To date, a significant percentage of humans, especially those living in developing/underprivileged communities still rely on traditional medicine for primary healthcare needs. In silico-based method...

Cancer is a life-threatening disease that kills millions of people each year and despite the best efforts, it continues to resist full control and eradication [1]. Interestingly, Aurora-A kinase (a multifunctional protein that is highly implicated in cancer) is very important in the regulation of mitotic progression and if they are interrupted with...

The emergence of SARS-CoV-2 in 2019 as a global threat has driven the urgent need for the identification of bioactive molecules capable of controlling or completely eradicating this virus. The lack of clinically approved drugs to manage this infection has left scientists on their heels in search of lead compounds to target the infection. In that li...

This project is focused on nature-based discovery of antiviral agents that target putative drug targets in the human immunodeficiency virus (HIV) and the severe acute respiratory syndrome (SARS) coronavirus disease 2019 (COVID-19) virus (SARS-CoV-2) for which screening procedures have lately been established. The presenter has previously developed...

The human immunodeficiency virus (HIV) causes an incurable disease known as acquired immune deficiency syndrome (AIDS). Management of this disease has been by the use of combination anti-retroviral therapy (cART), which suppresses HIV-1 below a level of detection in an individual. Despite the use of cARTs, HIV-1 appears to be dormant in some region...

COVID-19 has been the leading cause of death for the past four years and to date, it remains a serious threat to humanity. The search for drugs or vaccines to handle the burden caused by COVID-19 remains a great challenge. Interestingly, the spike protein has been scientifically reported to be one of the most important target proteins of SARS-CoV-2...

COVID-19 has been the leading cause of death for the past four years and to date, it remains a serious threat to humanity. The search for drugs or vaccines to handle the burden caused by COVID-19 remains a great challenge. Interestingly, the spike protein has been scientifically reported to be one of the most important target proteins of SARS-CoV-2...

What to expect: In 2 days, the participants of this hybrid workshop will take a survey of artificial intelligence, computational and medicinal chemistry-based approaches for drug discovery, with aspecial focus on the discovery antiviral agents. Experienced scientists will give talks (20 - 30 minutes), while students and early career scientists will...

2,4-dinitrophenylhydrazone of 5-chloroisatin (H 2 L) was synthesized and characterized by elemental and spectral (IR, electronic, Mass) analyses. The NMR spectrum of H 2 L indicated keto-enol tautomerism, with the keto form being more abundantin solution. H 2 L was found to selectively interfere with binding of the SARS-CoV-2 spike receptor binding...

Mixed-ligand complexes of Co(III), Ni(III), Cu(II) and Zn(II) with pyridine and thiocyanate have been synthesized and characterized using elemental analysis, infrared and UV-Vis spectroscopy, thermal analytical techniques, melting point determination and molar conductivity and room temperature magnetic susceptibility measurements. The results sugge...

The reaction of magnesium nitrate with hexamethylenetetramine (HMTA) in the presence of thiocyanide, dicyanamide (DCA), or azide ions resulted in the formation of the hydrated magnesium(II) compounds [Mg(H2O)6](SCN)2·2HMTA·3H2O (1a), [Mg(H2O)6](DCA)2·3HMTA·H2O (1b) and [Mg(H2O)6](N3)2·2HMTA·4H2O (1c) (DCA = dicyanamide). The compounds were characte...

We report the major conclusions of the online open-access workshop "Computational Applications in Secondary Metabolite Discovery (CAiSMD)" that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 200 registered participants from five continents (Africa, Asia, Europe, South America, and North America) took part...

The relation that exists between the structure of a compound and the its function is an integral part of chemoinformatics. The similarity principle states that, "structurally similar molecules tend to have similar properties and similar molecules exert similar biological activities". The similarity of the molecules can either be studied at the stru...

The use of molecular mechanics (MM) in understanding the energy and target of a drug, its structures, and properties has increased recently. This is achieved by the formulation of a simple MM energy equation, which represents the sum of the different energy interactions, often referred to as "forcefields" (FFs). The concept of FFs is now widely use...

The complexes of Manganese(II) with 1,10-phenanthroline using the nitrate, azide and dicyanamide as co-ligands have been synthesized and characterized by elemental analysis, infrared spectroscopy, thermal analysis and room temperature magnetic susceptibility measurements. The magnetic moments of the complexes are consistent with high spin (d 5) oct...

A Cu(II) 1D polymer with mixed ligands (SCN− and pyridine) has been synthesized and characterized by elemental analyses, IR, UV–visible and TG-DTA analytical techniques. The crystal structure was determined by single-crystal X-ray diffraction analyses. The complex crystallizes in the triclinic crystal system with space group P1̄ with one formula uni...

Four Co(II) complexes of hexamethylenetetramine (HMTA), [Co(HMTA)2(NO3)2(H2O)2], [Co(HMTA)(SCN)2(H2O)3], [Co2(HMTA)(N3)3(H2O)5] and [Co(HMTA)(DCA)2(H2O)]. H2O have been synthesized and were characterized by physico-chemical and spectroscopic methods. The results suggest that these complexes are octahedral, stable in air and non-hygroscopic as oppos...