OLADUJI TOFUNMI EMMANUEL
Address: No 10, Mission road, Ayeyemi, Ondo, Ondo state, Nigeria.
Email: oladujiemmanue@gmail.com Tel: +2349038323909
LinkedIn: https://www.linkedin.com/in/oladuji-emmanuel-757bb419b
RESEARCH INTEREST
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Computational Chemistry
Medicinal Chemistry
Drug Design and Discovery
EDUCATION
LADOKE AKINTOLA UNIVERSITY OF TECHNOLOGY
Ogbomoso, Nigeria
B.Tech. Pure and Applied Chemistry Major (Honors)
Thesis: The In-silico Assessment of Anti-Bacterial Activities of Sulfamidophosphonates
hybrids against Staphylococcus Aureus Using DFT for Optimization, Molecular Docking
and ADMET approaches
Supervisor: Prof. B. Semire
RESEARCH EXPERIENCE
GRADUATE RESEARCH ASSISTANT
August 2022- present
Computational Chemistry Laboratory, LAUTECH, Ogbomoso, Oyo state
Thesis: Investigations on Structure, Reactivity Indices, NLO properties, and Bio-evaluation of
1-benzyl-2-phenyl1H-benzimidazole Derivatives using DFT and Molecular Docking
Approaches.
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Conducted Computational modelling of 1-Benzyl-2-phenyl -1H-benzimidazole derivatives
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Optimized the structures of screened ligands using Spartan software. Studied ligandreceptor interactions through molecular docking. The inhibitory efficiency of the ligands
against the target receptor with standard anti-hypertensive drug was evaluated
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Evaluated inhibitory efficiency of ligands against the target receptor alongside a
standard anti-hypertensive drug
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Selected lead molecule based on binding mode analysis and molecular interactions with
the target receptor's active site
UNDERGRADUATE RESEARCH STUDENT
JANUARY- DECEMBER 2021
Computational Chemistry Laboratory, LAUTECH, Ogbomoso, Oyo state
Thesis: The In-silico Assessment of Anti-Bacterial Activities of Sulfamidophosphonates hybrids against
Staphylococcus Aureus Using DFT for Optimization, Molecular Docking and ADMET approaches
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Performed computational modeling and optimization of Sulfamidophosphonate derivatives.
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Employed chemo informatics screening such as Admet, Drug likeness, Bioactivity, and Oral
Bioavailability to eliminate toxic compounds unfit as drugs.
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Investigated ligand-receptor interactions of potential anti-bacterial compounds through
molecular docking.
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Selected lead molecule after evaluating binding mode and molecular interaction with the
target receptor's active site.
UNDERGRADUATE INDUSTRIAL EXPERIENCE (INTERN)
(2020)
Bola Oil Mills, Ore, Ondo State
 Carried out Free fatty acid analysis on refined Palm Kernel oil to meet required standard.
TEACHING EXPERIENCE
OLA-OLU COMPREHENSIVE COLLEGE, OGBOMOSO
JANUARY- JULY 2022
 Monitored and evaluated students’ academic performance.
 Reported and kept track of students’ academic performance.
 Prepared standard solutions and reagents for practical classes.
 Prepared students for internal and external examinations such as the West Africa Examination
for high school
VOLUNTEER EXPERIENCE
RED CROSS SOCIETY
First Aider
JUNE 2022- PRESENT
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Provided first aid to about 20 individuals per month during Red Cross volunteer shifts.
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Assessed and treated medical emergencies, including fractures, burns, and allergic
reactions, demonstrating first aid proficiency.
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Engaged in ongoing training and professional development, expanding first aid knowledge
and emergency response skills.
TECHNICAL SKILLS AND PROFESSIONAL SKILLS
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Data analysis of computational results
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Cheminformatics
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Power point, Microsoft Word
OTHER SKILLS
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Mentoring students on career paths
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interpersonal relationships, problem-solving, leadership skills, attention to detail and time
management
PROFFESSIONAL CERTIFICATION
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Associate Member, Chartered Institute of Environmental, Health and Safety
(2023)
PROFESSIONAL AFFLIATIONS
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Member, Chemical Society of Nigeria (CSN)
JOURNAL PUBLICATIONS
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Asiata Omotayo Ibrahim, Banjo Semire, Adewusi John Adepoju, Dayo Felix Latona , Abel
Kolawole Oyebamiji, Abayomi Dele Owonikoko , Tofunmi Emmanuel Oladuji & Olusegun
Ayobami Odunola. In silico Investigations on Structure, Reactivity Indices, NLO properties, and
Bio-evaluation of 1-benzyl-2-phenyl1H-benzimidazole Derivatives using DFT and Molecular
Docking Approaches. Volume 13, Issue 3, 2023, 233. https://doi.org/10.33263/BRIAC133.233
https://www.researchgate.net/publication/361138268_In_silico_Investigations_on_Structure_Reactivity_
Indices_NLO_properties_and_Bio-evaluation_of_1-benzyl-2-phenyl-_1Hbenzimidazole_Derivatives_using_DFT_and_Molecular_Docking_Approaches
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Ibrahim Asiata Omotayo, Semire Banjo, Oladuji Tofunmi Emmanuel, Latona Dayo Felix,
Oyebamiji Abel Kolawole, Owonikoko Abayomi Dele, Abdulsalami Ibrahim Olasegun, Adeoye
Moriam Dasola and Odunola Olusegun Ayobami. Molecular properties and In silico bioactivity
evaluation of (4-fluorophenyl) [5)-3-phen-(4-nitrophenyl yl-4,5-dihydro-1H-pyrazol-1yl]methanone derivatives: DFT and molecular docking approaches.
DOI:10.1016/j.jtumed.2023.05.011
REFERENCES
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Available on request