Selected phytochemicals of Momordica charantia L. as potential anti-DENV-2 through the docking, DFT and molecular dynamic simulation.

Autor: Huq AKMM; Bio Aromatic Research Centre, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia.; Department of Pharmacy, School of Medicine, University of Asia Pacific 74/A, Dhaka, Bangladesh., Roney M; Bio Aromatic Research Centre, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia.; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia., Issahaku AR; West African Centre for Computational Research and Innovation, Ghana, West Africa.; Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa., Sapari S; Department of Chemistry, University Technology of Malaysia, Skudai, Johor., Ilyana Abdul Razak F; Department of Chemistry, University Technology of Malaysia, Skudai, Johor., Soliman MES; Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa., Mohd Aluwi MFF; Bio Aromatic Research Centre, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia.; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia., Tajuddin SN; Bio Aromatic Research Centre, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia.; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Malaysia.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Nov; Vol. 42 (18), pp. 9325-9336. Date of Electronic Publication: 2023 Sep 07.

Correction: In Silico Exploration of Isoxazole Derivatives of Usnic Acid: Novel Therapeutic Prospects Against α-Amylase for Diabetes Treatment.

Autor: Roney M; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Persiaran Tun Khalil Yaakob, Kuantan, Pahang, Malaysia.; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Persiaran Tun Khalil Yaakob, Kuantan, Pahang, Malaysia., Issahaku AR; Department of Chemistry, University of the Free State, 205 Nelson Mandela Avenue, Bloemfontein, 9301, South Africa., Huq AKMM; Centre for Drug and Herbal Development, Faculty of Pharmacy, Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz-50300, Kuala Lumpur, Malaysia., Sapari S; Department of Chemistry, Faculty of Science, University Technology of Malaysia, Skudai, 81310, Johor Bahru, Johor, Malaysia., Abdul Razak FI; Department of Chemistry, Faculty of Science, University Technology of Malaysia, Skudai, 81310, Johor Bahru, Johor, Malaysia., Wilhelm A; Department of Chemistry, University of the Free State, 205 Nelson Mandela Avenue, Bloemfontein, 9301, South Africa., Zamri NB; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Persiaran Tun Khalil Yaakob, Kuantan, Pahang, Malaysia., Sharmin S; School of Pharmacy, BRAC University, 66 Mohakhali, Dhaka, 1212, Bangladesh., Islam MR; School of Pharmacy, BRAC University, 66 Mohakhali, Dhaka, 1212, Bangladesh., Mohd Aluwi MFF; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Persiaran Tun Khalil Yaakob, Kuantan, Pahang, Malaysia. fasihi@umpsa.edu.my.; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Persiaran Tun Khalil Yaakob, Kuantan, Pahang, Malaysia. fasihi@umpsa.edu.my.

Publikováno v: Cell biochemistry and biophysics [Cell Biochem Biophys] 2024 Sep 13. Date of Electronic Publication: 2024 Sep 13.

Elucidating the binding mechanisms of GABA and Muscimol as an avenue to discover novel GABA-mimetic small molecules.

Autor: Issahaku AR; Department of Chemistry, University of the Free State, Bloemfontein, South Africa., Wilhelm A; Department of Chemistry, University of the Free State, Bloemfontein, South Africa., Schutte-Smith M; Department of Chemistry, University of the Free State, Bloemfontein, South Africa., Erasmus E; Department of Chemistry, University of the Free State, Bloemfontein, South Africa., Visser H; Department of Chemistry, University of the Free State, Bloemfontein, South Africa.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Mar 23, pp. 1-16. Date of Electronic Publication: 2024 Mar 23.

Virtual screening of pyrazole derivatives of usnic acid as new class of anti-hyperglycemic agents against PPARγ agonists.

Autor: Roney M; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Pahang Darul Makmur, Lebuhraya Tun Razak, Gambang, Kuantan, 26300 Malaysia.; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Pahang Darul Makmur, Lebuhraya Tun Razak, Gambang, Kuantan, 26300 Malaysia., Issahaku AR; Department of Chemistry, University of the Free State, 205 Nelson Mandela Avenue, Bloemfontein, 9301 South Africa., Aluwi MFFM; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Pahang Darul Makmur, Lebuhraya Tun Razak, Gambang, Kuantan, 26300 Malaysia.; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Pahang Darul Makmur, Lebuhraya Tun Razak, Gambang, Kuantan, 26300 Malaysia.

Publikováno v: In silico pharmacology [In Silico Pharmacol] 2023 Nov 20; Vol. 11 (1), pp. 36. Date of Electronic Publication: 2023 Nov 20 (Print Publication: 2023).

Exploring the potential of biologically active phenolic acids from marine natural products as anticancer agents targeting the epidermal growth factor receptor.

Autor: Roney M; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia.; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia., Issahaku AR; Department of Chemistry, University of the Free State, Bloemfontein, South Africa.; Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa., Huq AM; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia.; School of Medicine, Department of Pharmacy, University of Asia Pacific, Bangladesh., Soliman MES; Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa., Tajuddin SN; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia., Aluwi MFFM; Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia.; Centre for Bio-aromatic Research, Universiti Malaysia Pahang Al-Sultan Abdullah, Lebuhraya Tun Razak, Kuantan, Pahang Darul Makmur, Malaysia.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Nov 01, pp. 1-24. Date of Electronic Publication: 2023 Nov 01.