Identification of EGFR inhibitors as potential agents for cancer therapy: pharmacophore-based modeling, molecular docking, and molecular dynamics investigations.

Autor: Ashiru MA; Department of Chemical Sciences, Biochemistry Unit, College of Natural and Applied Sciences, Fountain University, Osogbo, Osun State, Nigeria., Ogunyemi SO; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Temionu OR; Department of Medical Laboratory Technology, Lagos State College of Health Technology, Lagos, Lagos State, Nigeria., Ajibare AC; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Cicero-Mfon NC; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Ihekuna OA; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Jagun MO; Department of Medical Laboratory Technology, Lagos State College of Health Technology, Lagos, Lagos State, Nigeria., Abdulmumin L; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Adisa QK; Department of Chemical Sciences, Biochemistry Unit, College of Natural and Applied Sciences, Fountain University, Osogbo, Osun State, Nigeria., Asibor YE; Faculty of Science, Department of Pure & Applied Chemistry, Osun State University, Osogbo, Osun State, Nigeria., Okorie CJ; Faculty of Physical Sciences, Department of Pure & Industrial Chemistry, Nnamdi Azikiwe University, Awka, Anambra State, Nigeria., Lawal MO; Faculty of Basic Medical Sciences, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Babalola MO; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Abdulrasaq IT; Faculty of Basic Medical Sciences, Department of Biochemistry, College of Medicine, University of Lagos, Lagos, Lagos State, Nigeria., Salau LB; Faculty of Basic Medical Science, Department of Physiology, University of Lagos, Lagos, Nigeria., Olatunji IO; Faculty of Basic Medical Sciences, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Bankole MA; Faculty of Basic Medical Sciences, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Daud AB; Faculty of Basic Medical Sciences, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso, Oyo State, Nigeria., Adeyemi AO; Department of Medical Laboratory Technology, Lagos State College of Health Technology, Lagos, Lagos State, Nigeria. ayodejioadeyemi@gmail.com.

Publikováno v: Journal of molecular modeling [J Mol Model] 2023 Apr 04; Vol. 29 (5), pp. 128. Date of Electronic Publication: 2023 Apr 04.

QSAR, ADMET, molecular docking, and dynamics studies of 1,2,4-triazine-3(2H)-one derivatives as tubulin inhibitors for breast cancer therapy.

Autor: Moussaoui, Mohamed¹ (AUTHOR) moussaouimohamed143@gmail.com, Baammi, Soukayna² (AUTHOR), Soufi, Hatim¹ (AUTHOR), Baassi, Mouna¹ (AUTHOR), El Allali, Achraf² (AUTHOR), Belghiti, M. E.^1,3 (AUTHOR), Daoud, Rachid⁴ (AUTHOR) rachid.daoud@um6p.ma, Belaaouad, Said¹ (AUTHOR)

Publikováno v: Scientific Reports. 7/16/2024, Vol. 14 Issue 1, p1-16. 16p.

Predicting FFAR4 agonists using structure-based machine learning approach based on molecular fingerprints.

Autor: Sherwani, Zaid Anis¹ (AUTHOR), Tariq, Syeda Sumayya¹ (AUTHOR), Mushtaq, Mamona¹ (AUTHOR), Siddiqui, Ali Raza² (AUTHOR), Nur-e-Alam, Mohammad³ (AUTHOR), Ahmed, Aftab⁴ (AUTHOR), Ul-Haq, Zaheer¹ (AUTHOR) zaheer.qasmi@iccs.edu

Publikováno v: Scientific Reports. 4/24/2024, Vol. 14 Issue 1, p1-12. 12p.

Complexing Behavior of Vanadate Towards Thrombin

Autor: Jalil, N. S. Neelam, Bonire, J. J., Abdulmumin, L. Y.

Publikováno v: Synthesis & Reactivity in Inorganic & Metal-Organic Chemistry; Apr98, Vol. 28 Issue 4, p669, 14p

Assessment of GNSS zenith tropospheric delay responses to atmospheric variables derived from ERA5 data over Nigeria.

Autor: Nzelibe, Ifechukwu Ugochukwu, Tata, Herbert, Idowu, Timothy Oluwadare

Publikováno v: Satellite Navigation; 5/29/2023, Vol. 4 Issue 1, p1-16, 16p