Posted on

Exploring in-silico antimicrobial potential of Cymbopogon citratus phytochemicals in the treatment of drug-resistant Escherichia coli using molecular docking and ADMET screening

Adewole, P. D., *Orija, F. O., and Bamigboye, K. P.

Medical Laboratory Science, Bowen University, Iwo, Nigeria

*Correspondence to:  orija.funmbi@bowen.edu.ng; 08136046292; ORCID: https://orcid.org/0009–0002–9397–9467

Abstract:  

Background: Antimicrobial resistance (AMR) poses a serious global health threat, particularly by to multidrugresistant Escherichia coli, which reduces the efficacy of conventional antibiotics. Medicinal plants such as Cymbopogon citratus have gained attention as potential alternative antimicrobial sources. This study evaluated the in-silico antimicrobial potential of C. citratus phytochemicals against drug-resistant E. coli.              Continue reading “Exploring in-silico antimicrobial potential of Cymbopogon citratus phytochemicals in the treatment of drug-resistant Escherichia coli using molecular docking and ADMET screening”

Posted on

Exploring the antimicrobial potential of Azadirachta indica (Neem) phytoconstituents against drug-resistant Acinetobacter baumannii: A molecular docking and ADMET screening study

Adewole, P. D., *Oluwafemi, I. B., and Bamigboye, K. P.  

 Medical Laboratory Science Programme, College of Health Sciences, Bowen University, Iwo, Osun State, Nigeria Department of Medical Microbiology and Parasitology, Faculty of Medical Laboratory Science, University of Ilesa, Ilesa, Osun State, Nigeria

*Correspondence to: oluwafemi.inioluwa@bowen.edu.ng; 07026731414; ORCID: https://orcid.org/0009–0006–8086–1637

 

Abstract:

 

Background: The emergence of multidrug resistant (MDR) Acinetobacter baumannii remains at the top of the health care concern around the world which thereby emphasizes the need to discover novel antimicrobials from medicinal plants, such as Azadirachta indica (neem) in treatment of infections caused by MDR A. baumannii. The current insilico study was aimed to evaluate inhibitory potential of Neem derived phytoconstituents against essential proteins of A. baumannii and their evaluation of pharmacokinetic characteristics.                 Continue reading “Exploring the antimicrobial potential of Azadirachta indica (Neem) phytoconstituents against drug-resistant Acinetobacter baumannii: A molecular docking and ADMET screening study”

Posted on

Discovery of potential antiviral compounds against Dengue virus using virtual screening and physicochemical profiling from zinc database

1Ramdeen, S. J., 1Usoro, N., 1Giordano, K., 1Garza, P. E., 2Quadri, O., 3Esan, T. E.,  and *1Olanrewaju,A. A.

1Texas State University, Medical Laboratory Science Program San Marcos, TX USA

2Northern Illinois University, Chemistry and Biochemistry Analytical Lab, Dekalb, IL USA

3Rosalind Franklin University of Medicine and Science, Chicago, IL USA *Correspondence to: dep112@txstate.edu; Phone: +1 571-228-0537

Abstract:

Background: Dengue, a mosquito-borne virus infection, reportedly affected over 7.6 million people in early 2024, subsequently leading to approximately 3000 deaths. Dengue is primarily spread by Aedes (A. aegypti and A. albopictus) mosquitoes. There is currently no clinically approved preventive vaccine against Dengue virus (DENV), and according to the Center for Disease Control (CDC), the only acceptable vaccine for DENV is Dengvaxia, which has efficacy and safety issues. This makes it unsuitable for use against DENV. Drug repurpose is an alternative approach for the discovery of novel therapeutics. Continue reading “Discovery of potential antiviral compounds against Dengue virus using virtual screening and physicochemical profiling from zinc database”