Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT …

RO Oyewole, AK Oyebamiji, B Semire - Heliyon, 2020 - cell.com
Abstracts This work used quantum chemical method via DFT to calculate molecular
descriptors for the development of QSAR model to predict bioactivity (IC 50-50% inhibition …

[PDF][PDF] Phytochemical and antibacterial investigation of Moringa oleifera seed: experimental and computational approaches

SA Akintelu, AS Folorunso, AK Oyebamiji - Eclética Química, 2021 - redalyc.org
The advent of antibiotic resistance and the growth of new strains of bacteria are of great
concern to the world health sectors. Effective treatment of the infections caused by these …

[PDF][PDF] Computational and experimental studies on antimicrobial activity of the bark of annona muricata against some selected human pathogenic bacteria and fungi

E Babawale, O Samuel, O Ibrahim… - Int. J. Modern Chem, 2019 - researchgate.net
Medicinal plants have traditionally provided a source of hope for novel drug compounds with
effectiveness to combat antimicrobial resistance, as plant herbal mixtures have made large …

In-silico study on anti-cancer activity of selected alkaloids from Catharanthus roseus.

AK Oyebamiji, AS Akintelu, OA Mutiu, IJ Adeosun… - 2021 - cabidigitallibrary.org
Cancer still remains one of the dangerous infirmities among Homo sapiens. The
vulnerability of this disease in homeopathic world is still grievous. This work was aimed at …

Inhibition of cyclooxygenase-2 and thymidylate synthase by dietary sphingomyelins: Insights from DFT and molecular docking studies

M Abdul-Hammed, B Semire… - Physical Chemistry …, 2020 - physchemres.org
Inhibition of cyclooxygenase-2 (COX-2) and thymidylate Synthase (TS) enzymes play
prominent chemopreventive and chemotherapeutic roles in colorectal cancer studies. Basic …

[PDF][PDF] Theoretical studies of 1, 2, 3-triazole and isoxazole-linked pyrazole hybrids as antibacterial agents: an approach of docking and density functional theory

A Adegoke, G Azeez, A Lawal, M Imran - Advanced Journal of …, 2021 - academia.edu
Introduction As the rate of designing and developing drugs keep increasing globally which
has in turn reduced the mortality and morbidity rate. Bacteria were observed to show …

In-Silico Study on Anti-bacteria and Anti-fungal Activities of 3,4-Dihydropyrimidin-2(1H)-One Urea Derivatives

AK Oyebamiji, B Semire - Chemistry Africa, 2021 - Springer
The menace caused by fungi amidst human being and in the world at large is colossal. Their
increasing rate of causing havoc has drawn the attention of scientist to developing efficient …

[PDF][PDF] Studies of anti-hypertensive activity of 1, 4-dihydropyridine derivatives: combinations of DFT-QSAR and docking approaches

AK Oyebamiji, B Semire - Bull. Pharm. Res, 2016 - researchgate.net
1, 4-Dihydropyridine (1, 4-DHP) derivatives have been recognized as calcium channel
blocker (CCB) agent. In this research, a series of 1, 4-dihydropyridine (1, 4-DHP) derivatives …

[PDF][PDF] Theoretical evaluation of potential anti-alanine dehydrogenase activities of acetamide derivatives

MD Adeoye, EF Olarinoye… - … Res. Appl. Chem, 2022 - biointerfaceresearch.com
Tuberculosis is an airborne communicable syndrome, which has been observed to be
among the top ten (10) causes of death worldwide. This work studied eleven molecular …

[PDF][PDF] Studies of 2-[5-(aryloxymethyl)-1, 3, 4-oxadiazol-2-ylsulfanyl] acetic acid derivatives for antibacterial activities via DFT, QSAR and docking approaches

AK Oyebamiji, B Semire - Bulletin of Pharmaceutical Research, 2017 - researchgate.net
The inhibitory activity of 2-[5-(aryloxymethyl)-1, 3, 4-oxadiazol-2-ylsulfanyl] acetic acid
derivatives were considered and used against S. aureus cell line using density functional …