Decoding Drug Discovery: Exploring A-to-Z In Silico Methods for Beginners.

Autor: Rasul HO; Department of Pharmaceutical Chemistry, College of Science, Charmo University, Peshawa Street, Chamchamal, 46023, Sulaimani, Iraq. hezha.rasul@chu.edu.iq., Ghafour DD; Department of Medical Laboratory Science, College of Science, Komar University of Science and Technology, 46001, Sulaimani, Iraq.; Department of Chemistry, College of Science, University of Sulaimani, 46001, Sulaimani, Iraq., Aziz BK; Department of Nanoscience and Applied Chemistry, College of Science, Charmo University, Peshawa Street, Chamchamal, 46023, Sulaimani, Iraq., Hassan BA; Computer Science and Engineering Department, School of Science and Engineering, University of Kurdistan Hewler, KRI, Iraq.; Department of Computer Science, College of Science, Charmo University, Peshawa Street, Chamchamal, 46023, Sulaimani, Iraq., Rashid TA; Computer Science and Engineering Department, School of Science and Engineering, University of Kurdistan Hewler, KRI, Iraq., Kivrak A; Department of Chemistry, Faculty of Sciences and Arts, Eskisehir Osmangazi University, Eskişehir, 26040, Turkey.

Publikováno v: Applied biochemistry and biotechnology [Appl Biochem Biotechnol] 2024 Dec 04. Date of Electronic Publication: 2024 Dec 04.

Identification of natural diterpenes isolated from Azorella species targeting dispersin B using in silico approaches.

Autor: Rasul HO; Department of Pharmaceutical Chemistry, College of Science, Charmo University, Peshawa Street, Chamchamal, Sulaymaniyah, 46023, Iraq. hezha.rasul@charmouniversity.org., Sabir DK; Department of Medical Laboratory Sciences, College of Science, Charmo University, 46023 Chamchamal, Sulaymaniyah, Iraq., Aziz BK; Department of Nanoscience and Applied Chemistry, College of Science, Charmo University, Peshawa Street, Chamchamal, Sulaymaniyah, 46023, Iraq., Guillermo Salgado M; Facultad de Ciencias Químicas, Investigador Extramural, Universidad de Concepcion, Concepcion, Chile., Mendoza-Huizar LH; Autonomous University of Hidalgo State, Academic Area of Chemistry, Mineral de la Reforma, Hidalgo, Mexico., Belhassan A; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco., Candia LG; Departamento de Química Ambiental, Facultad de Ciencias, Universidad Católica de la Santísima Concepción, Concepción, Chile., Villada WC; Facultad de Ciencias Exactas, Departamento de Quimica, Universidad Andres Bello, Concepcion, Chile., Thomas NV; Department of BioMedical Science, College of Science, Komar University of Science and Technology, Sulaymaniyah, 46001, Iraq., Ghafour DD; Department of Medical Laboratory Science, College of Science, Komar University of Science and Technology, Sulaymaniyah, 46001, Iraq.; Department of Chemistry, College of Science, University of Sulaimani, Sulaymaniyah, 46001, Iraq.

Publikováno v: Journal of molecular modeling [J Mol Model] 2023 May 20; Vol. 29 (6), pp. 182. Date of Electronic Publication: 2023 May 20.

Discovery of potential mTOR inhibitors from Cichorium intybus to find new candidate drugs targeting the pathological protein related to the breast cancer: an integrated computational approach.

Autor: Rasul HO; Department of Pharmaceutical Chemistry, College of Medicals and Applied Sciences, Charmo University, Peshawa Street, Chamchamal, Sulaimani, 46023, Iraq. hezha.rasul@charmouniversity.org., Aziz BK; Department of Nanoscience and Applied Chemistry, College of Medicals and Applied Sciences, Charmo University, Peshawa Street, Chamchamal, Sulaimani, 46023, Iraq., Ghafour DD; Department of Medical Laboratory Science, College of Science, Komar University of Science and Technology, Sulaimani, 46001, Iraq.; Department of Chemistry, College of Science, University of Sulaimani, Sulaimani, 46001, Iraq., Kivrak A; Department of Chemistry, Faculty of Sciences and Arts, Eskisehir Osmangazi University, Eskişehir, 26040, Turkey.

Publikováno v: Molecular diversity [Mol Divers] 2023 Jun; Vol. 27 (3), pp. 1141-1162. Date of Electronic Publication: 2022 Jun 23.

In silico molecular docking and dynamic simulation of eugenol compounds against breast cancer.

Autor: Rasul HO; Department of Pharmaceutical Chemistry, College of Medicals and Applied Sciences, Charmo University, Peshawa Street, Chamchamal, 46023, Sulaimani, Iraq. hezha.rasul@charmouniversity.org., Aziz BK; Department of Nanoscience and Applied Chemistry, College of Medicals and Applied Sciences, Charmo University, Peshawa Street, Chamchamal, 46023, Sulaimani, Iraq., Ghafour DD; Department of Medical Laboratory Science, College of Science, Komar University of Science and Technology, 46001, Sulaimani, Iraq.; Department of Chemistry, College of Science, University of Sulaimani, 46001, Sulaimani, Iraq., Kivrak A; Department of Chemistry, Faculty of Sciences and Arts, Eskisehir Osmangazi University, Eskişehir, 26040, Turkey.

Publikováno v: Journal of molecular modeling [J Mol Model] 2021 Dec 28; Vol. 28 (1), pp. 17. Date of Electronic Publication: 2021 Dec 28.

Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studies.

Autor: Irfandi R; Doctoral Program, Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia.; Department of Biology Education, Faculty of Teacher Training and Education, Universitas Puangrimaggalatung, Sengkang, 90915, Indonesia., Raya I; Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia. indahraya@unhas.ac.id., Ahmad A; Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia., Fudholi A; Solar Energy Research Institute, Universiti Kebangsaan Malaysia, UKM, 43600, Bangi, Selangor, Malaysia.; Research Centre for Electrical Power and Mechatronics, Institute of Science (LIPI), Bandung, Indonesia., Riswandi; Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia., Santi S; Medical Laboratory Technology, Faculty of Health Technology, Megarezky University, Makassar, 90234, Indonesia., Azalea WP; District Health Office, Faculty of Pharmacy, Pancasila University, Jakarta, 12620, Indonesia., Putri SE; Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Negeri Makassar, Makassar, Jalan Daeng Tata Raya, Makassar, 90244, Indonesia., Alam MN; Doctoral Program, Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia., Supratman U; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, Jatinangor, 45363, Indonesia., Olubode SO; Department of Biochemistry, Adekunle Ajasin University, Akungba Akoko, Ondo State, Nigeria., Abdalrazaq EA; Department of Chemistry, Faculty of Science, Al Hussein Bin Talal University, Ma'an, Jordan., Kandeel M; Department of Biomedical Sciences, College of Veterinary Medicine, King Faisal University, Al-Ahsa, Saudi Arabia., Soekamto NH; Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia., Natsir H; Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia., Maming; Department of Chemistry, Faculty of Mathematics, and Natural Science, Hasanuddin University, Makassar, 90245, Indonesia., Ramlawati; Department of Natural Science Education, Faculty of Mathematics and Natural Science, Universitas Negeri Makassar, Makassar, Indonesia.

Publikováno v: Molecular diversity [Mol Divers] 2024 Oct; Vol. 28 (5), pp. 3199-3214. Date of Electronic Publication: 2023 Oct 27.