Education

• Postdoctoral Research Scholar, University of Iowa, Iowa City, USA
• PhD, Hokkaido University, Hokkaido, Japan
• M.S (Organic Synthesis), University of Dhaka. Dhaka, Bangladesh
• B.Sc (Hon’s), University of Dhaka, Dhaka, Bangladesh

Research Interests

• Heterogeneous Catalysis
• Organic Synthesis
• Synthesis of Active Pharmaceutical Ingredients (APIs)
• Medicinal Chemistry
• Structure modification of drug molecules.
• Waste Valorization

Journal Publications

• Md Ayub Ali, Dan Feng, Staci L. Haney, David F. Wiemer, Sarah A. Holstein, “Incorporation of an alpha-hydroxy substituent modulates activity of triazole bisphosphonate-based geranylgeranyl diphosphate synthase inhibitors” Bioorg. Med. Chem. 137 (2026) 118636
• Md. Ayub Ali, Mona A. Maalouf, Dan Feng, Mamunur Rashid, Nathaniel R. Gehrke, Yashpal S. Chhonker, Daryl J. Murry, David F. Wiemer, Sarah A. Holstein, “Impact of fixed phosphorus position on activity of triazole bisphosphonates as geranylgeranyl diphosphate synthase inhibitors” Biorg. Med. Chem, 122 (2025) 118140.
• Md. Ershad Halim, Uzzal Shaha, Teruo Shinmyozu, Md. Ayub Ali, “Synthesis, characterization, and charge transfer interaction of a dibromopyromellitic diimide based [2+2] macrocycle with p-xylene molecule: A combined experimental and computational investigation” Journal of Molecular Structure, 1322 (2025) 141563.
• Nathan R. Gehrke,Dan Feng,Md. Ayub Ali, Mouna A. Maalouf,Sarah A. Holstein,and David F. Wiemer, “α-Amino bisphosphonate triazoles serve as GGDPS inhibitors” Bioorg. Med. Chem. Lett., 102 (2024) 129659.
• Md Ayub Ali, Ashutosh Nath, Md Midul Islam, Sharmin Binte Shaheed and Ifat Nur Dibbo, “Combined experimental and computational studyof Al₂O₃ catalyzed transamidation of secondaryamides with amines,” RSC Adv., 2022, 12, 11255.
• Md. Ayub Ali, Ashutosh Nath, Meshkatun Jannat, and Md. Midul Islam, “Direct Synthesis of Diamides from Dicarboxylic Acids with Amines Using Nb₂O₅ as a Lewis Acid Catalyst and Molecular Docking Studies as Anticancer Agents,” ACS Omega 2021, 6, 25002−25009.
• M. Sarkar, A. Natha, A. Kumer, C. Mallik, F. Akter, Md. Moniruzzaman, Md. A. Ali, “Synthesis, molecular docking screening, ADMET and dynamics studies of synthesized 4-(4-methoxyphenyl)-8-methyl-3,4,5,6,7,8-hexahydroquinazolin-2(1H)-one and quinazolinone derivatives,” Journal of Molecular Structure 1244 (2021) 130953.
• S. M. A. Hakim Siddiki, Md. Nurnobi Rashed, Md. A. Ali, Takashi Toyao, Pussana Hirunsit, Masahiro Ehara, Ken-ichi Shimizu, “Lewis Acid Catalysis of Nb2O5 for Reactions of Carboxylic Acid Derivatives in the Presence of Basic Inhibitors,” ChemCatChem, Miniriviews, 2019, 11, 383-396.
• Takashi Toyao, Md. Nurnobi Rashed, Yoshitsugu Morita, Takashi Kamachi, S. M. A.Hakim Siddiki, Md. A. Ali, A. S. Touchy, Kenichi Kon, Zen Maeno, Kazunari Yoshizawa, Ken-ichi Shimizu, “Esterification of Tertiary Amides by Alcohols Through C–N Bond Cleavage over CeO2,” ChemCatChem, 2019, 11, 449-456.
• Md. N. Rashed, S. M. A.H. Siddiki, Md. A. Ali, Sondomoyee K.Moromi, Abeda S. Touchy, Kenichi Kon, Takashi Toyao, Ken-ichi Shimizu, “Heterogeneous catalysts for cyclization of dicarboxylic acids to cyclic anhydrides as monomers for bioplastics,” GreenChem., 2017 19(14), 3238-3242. (highlighted in outside back cover & and highlighted in Synfacts Thieme Journal).

Teaching

• Associate Professor (2022-Present), Department of Chemistry, Bangladesh University of Engineering & Technology, Dhaka.                        
• Assistant Professor (2018-2022), Dept. of Chemistry, BUET. Bangladesh University of Engineering & Technology
• Lecturer (2016-2018), Dept. of Chemistry, BUET.
• Lecturer (2012-2013), Green University of Bangladesh, Dhaka
• Lecturer (2011-2012), Primeasia University, Dhaka
• Teacher (2010-2011), Bangladesh International Tutorial, Gulshan, Dhaka.

Awards & Recognition

• Postdoctoral Research Fellowship “Synthesis of drugs for the treatment of multiple myeloma” University of Iowa, Iowa City, USA
• President’s Young Scientist Award of AASSA (The Association of Academies and Societies of Sciences in Asia) for outstanding performance in research and presentation at 3^rd Young Scientist Congress-2018, organized by Bangladesh Academy of Sciences (BAS).
• Outstanding poster presentation award in the 4th Frontier Chemistry Center International Symposium, Hokkaido University, Japan. 23-24 February 2016. Poster title “Direct Amidation of Esters and Carboxylic Acids by Niobium Oxide Catalyst.”
• High performance poster presentation award for International Symposium on Catalysis and Fine chemicals 2013, (C & FC 2013), Himeji 28-29 November 2013. Poster title “Nb2O5- catalyzed synthesis of cyclic imides from dicarboxylic acids and amines”
• AGS scholarship for PhD in Hokkaido University, Japan (March 2013-March 2016). NSICT Fellowship scholarship in M.S by Ministry of Science and Technology, 2009, Government of the People’s Republic of Bangladesh.