Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors.

Autor: Abdullahi M; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria.; Department of Pure and Applied Chemistry, Faculty of Physical Sciences, Kaduna State University, Kaduna, Nigeria., Uzairu A; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Shallangwa GA; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Mamza PA; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Ibrahim MT; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Chandra A; School of Physical Science, Jawaharlal Nehru University, New Delhi, India., Goel VK; School of Physical Science, Jawaharlal Nehru University, New Delhi, India.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2025 Jan; Vol. 43 (1), pp. 241-260. Date of Electronic Publication: 2023 Nov 15.

Vanadocene-functionalized mesoporous silica nanoparticles: platforms for the development of theranostic materials against breast cancer.

Autor: Iorhemba MA; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain.; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B., 1045 Zaria, Kaduna State, Nigeria.; Department of Chemistry, College of Physical Sciences, Federal University of Agriculture, P.M.B., Makurdi, Benue, 2373, Nigeria., Álvarez-Conde J; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain., Díaz-García D; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain., Méndez-Arriaga JM; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain., García-Almodóvar V; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain., Ovejero-Paredes K; Nanobiotechnology for Life Sciences Group, Department of Chemistry in Pharmaceutical Sciences, Faculty of Pharmacy, Universidad Complutense de Madrid (UCM), Plaza Ramón y Cajal s/n, E-28040 Madrid, Spain.; Microscopy and Dynamic Imaging Unit. Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC), Calle Melchor Fernández Almagro 3, E-28029 Madrid, Spain., Idris SO; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B., 1045 Zaria, Kaduna State, Nigeria., Shallangwa GA; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B., 1045 Zaria, Kaduna State, Nigeria., Abdulkadir I; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B., 1045 Zaria, Kaduna State, Nigeria., Prashar S; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain., Filice M; Nanobiotechnology for Life Sciences Group, Department of Chemistry in Pharmaceutical Sciences, Faculty of Pharmacy, Universidad Complutense de Madrid (UCM), Plaza Ramón y Cajal s/n, E-28040 Madrid, Spain.; Microscopy and Dynamic Imaging Unit. Fundación Centro Nacional de Investigaciones Cardiovasculares Carlos III (CNIC), Calle Melchor Fernández Almagro 3, E-28029 Madrid, Spain., Gómez-Ruiz S; COMET-NANO Group, Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Calle Tulipán s/n, E-28933 Móstoles, Madrid, Spain.

Publikováno v: Biomedical materials (Bristol, England) [Biomed Mater] 2024 Mar 06; Vol. 19 (3). Date of Electronic Publication: 2024 Mar 06.

In-silico molecular modelling studies of some camphor imine based compounds as anti-influenza A (H1N1) pdm09 virus agents.

Autor: Abdullahi M; Faculty of Physical Sciences, Department of Chemistry, Ahmadu Bello University, Zaria, Kaduna State, Nigeria.; Faculty of Sciences, Department of Pure and Applied Chemistry, Kaduna State University, Zaria, Kaduna State, Nigeria., Uzairu A; Faculty of Physical Sciences, Department of Chemistry, Ahmadu Bello University, Zaria, Kaduna State, Nigeria., Shallangwa GA; Faculty of Physical Sciences, Department of Chemistry, Ahmadu Bello University, Zaria, Kaduna State, Nigeria., Mamza PA; Faculty of Physical Sciences, Department of Chemistry, Ahmadu Bello University, Zaria, Kaduna State, Nigeria., Ibrahim MT; Faculty of Physical Sciences, Department of Chemistry, Ahmadu Bello University, Zaria, Kaduna State, Nigeria., Chandra A; School of Physical Science, Jawaharlal Nehru University, New Delhi, Delhi, India., Goel VK; School of Physical Science, Jawaharlal Nehru University, New Delhi, Delhi, India.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Feb-Mar; Vol. 42 (4), pp. 2013-2033. Date of Electronic Publication: 2023 May 11.

Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis.

Autor: Ugbe FA; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Shallangwa GA; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Uzairu A; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Abdulkadir I; Department of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, Zaria, Nigeria., Edache EI; Department of Pure and Applied Chemistry, University of Maiduguri, Maiduguri, Nigeria., Al-Megrin WAI; Department of Biology, College of Science, Princess Nourah bint Abdulrahman. University, Riyadh, Saudi Arabia., Al-Shouli ST; Immunology Unit, Pathology Department, College of Medicine, King Saud University, Riyadh, Saudi Arabia., Wang Y; Pediatric Research Institute, Children's Hospital Affiliated to Shandong University, Jinan, Shandong, China.; Shandong Provincial Clinical Research Center for Children's Health and Disease, Jinan, Shandong, China., Abdalla M; Pediatric Research Institute, Children's Hospital Affiliated to Shandong University, Jinan, Shandong, China.; Shandong Provincial Clinical Research Center for Children's Health and Disease, Jinan, Shandong, China.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024; Vol. 42 (24), pp. 13830-13853. Date of Electronic Publication: 2023 Nov 08.

Chemo-informatics applications in the design of novel 7-keto-sempervirol derivatives as SmCB1 inhibitors with potential for treatment of Schistosomiasis.

Autor: Anyubaga SB; Department of Chemistry Ahmadu Bello University, P.M.B. 1044, Zaria, Nigeria., Shallangwa GA; Department of Chemistry Ahmadu Bello University, P.M.B. 1044, Zaria, Nigeria., Uzairu A; Department of Chemistry Ahmadu Bello University, P.M.B. 1044, Zaria, Nigeria., Abechi SE; Department of Chemistry Ahmadu Bello University, P.M.B. 1044, Zaria, Nigeria.

Publikováno v: Heliyon [Heliyon] 2023 Dec 03; Vol. 10 (1), pp. e23115. Date of Electronic Publication: 2023 Dec 03 (Print Publication: 2024).