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Shristi Modanwal, Akhilesh Kumar Maurya, Saurav Kumar Mishra & Nidhi Mishra. (2023) Development of QSAR model using machine learning and molecular docking study of polyphenol derivatives against obesity as pancreatic lipase inhibitor. Journal of Biomolecular Structure and Dynamics 41:14, pages 6569-6580.
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Stephen Eyije Abechi, Stephen Ejeh & Ajala Abduljelil. (2023) In silico screening of potential Tumor necrosis factor alpha (TNF-α) inhibitors through molecular modeling, molecular docking, and pharmacokinetics evaluations. Scientific African 21, pages e01830.
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Anne Jibrin, Adamu Uzairu, Gideon Adamu Shallangwa, Stephen Eyije Abechi & Abdullahi Bello Umar. (2023) In-silico profiling, design, molecular docking computation, and drug kinetic model evaluation of novel curcumin derivatives as potential anticancer agents. Journal of the Indian Chemical Society 100:4, pages 100979.
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David Ebuka Arthur. (2023) Theoretical modelling and molecular docking simulation evaluating 3-aryl-5-(alkyl-thio)-1 H-1,2,4-triazoles derivatives as potent anti-tubercular agents against MTB CYP121 receptor. Informatics in Medicine Unlocked 41, pages 101301.
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David Ebuka Arthur, Benjamin Osebi Elegbe, Augustina Oyibo Aroh & Mahmoud Soliman. (2022) Computational drug design of novel COVID-19 inhibitor. Bulletin of the National Research Centre 46:1.
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Xiaofang Li, Fei Pan, Zichen Yang, Feng Gao, Jiawei Li, Feng Zhang & Tegexibaiyin Wang. (2022) Construction of QSAR model based on cysteine‐containing dipeptides and screening of natural tyrosinase inhibitors. Journal of Food Biochemistry 46:10.
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Venkataraghavan Ragunathan, K. Chithra, C. Shivanika & Meenambiga Setti Sudharsan. (2022) Modelling and targeting mitochondrial protein tyrosine phosphatase 1: a computational approach. In Silico Pharmacology 10:1.
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Stephen Ejeh, Adamu Uzairu, Gideon A. Shallangwa & Stephen E. Abechi. (2021) Computational insight to design new potential hepatitis C virus NS5B polymerase inhibitors with drug-likeness and pharmacokinetic ADMET parameters predictions. Future Journal of Pharmaceutical Sciences 7:1.
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David Ebuka Arthur, Jibrin Noah Akoji, Riadh Sahnoun, Greatman C. Okafor, Karimatu Lami Abdullahi, Samira A. Abdullahi & Charles Mgbemena. (2021) A theoretical insight in interactions of some chemical compounds as mTOR inhibitors. Bulletin of the National Research Centre 45:1.
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Stephen Ejeh, Adamu Uzairu, Gideon Adamu Shallangwa & Stephen E. Abechi. (2021) Computer-aided identification of a series of novel ligands showing high potency as hepatitis C virus NS3/4A protease inhibitors. Bulletin of the National Research Centre 45:1.
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Katarzyna Szałabska-Rąpała, Weronika Borymska & Ilona Kaczmarczyk-Sedlak. (2021) Effectiveness of Magnolol, a Lignan from Magnolia Bark, in Diabetes, Its Complications and Comorbidities—A Review. International Journal of Molecular Sciences 22:18, pages 10050.
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Stephen Ejeh, Adamu Uzairu, Gideon A. Shallangwa & Stephen E. Abechi. (2021) In Silico Design, Drug-Likeness and ADMET Properties Estimation of Some Substituted Thienopyrimidines as HCV NS3/4A Protease Inhibitors. Chemistry Africa 4:3, pages 563-574.
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Naeema Begum, Abdul Nasir, Zahida Parveen, Taj Muhammad, Asma Ahmed, Saira Farman, Nargis Jamila, Mohib Shah, Noor Shad Bibi, Akif Khurshid, Zille Huma, Atif Ali Khan Khalil, Ashraf Albrakati & Gaber El-Saber Batiha. (2021) Evaluation of the Hypoglycemic Activity of Morchella conica by Targeting Protein Tyrosine Phosphatase 1B. Frontiers in Pharmacology 12.
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Oluwafemi Adeleke Ojo, Adebola Busola Ojo, Charles Okolie, Mary-Ann Chinyere Nwakama, Matthew Iyobhebhe, Ikponmwosa Owen Evbuomwan, Charles Obiora Nwonuma, Rotdelmwa Filibus Maimako, Abayomi Emmanuel Adegboyega, Odunayo Anthonia Taiwo, Khalaf F. Alsharif & Gaber El-Saber Batiha. (2021) Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer’s Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches. Molecules 26:7, pages 1996.
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Oluwafemi Adeleke Ojo, Adebola Busola Ojo, Charles Okolie, Jadesola Abdurrahman, Morayo Barnabas, Ikponmwosa Owen Evbuomwan, Oluwabori Paul Atunwa, Bukola Atunwa, Matthew Iyobhebhe, Tobiloba Christiana Elebiyo, Charles Obiora Nwonuma, Abayomi Emmanuel Adegboyega, Safaa Qusti, Eida M. Alshammari, Helal F. Hetta & Gaber El Saber Batiha. (2021) Elucidating the interactions of compounds identified from Aframomum melegueta seeds as promising candidates for the management of diabetes mellitus: A computational approach. Informatics in Medicine Unlocked 26, pages 100720.
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