Research & Publications

Discover our latest findings and contributions to the world of bioinformatics and computational biology.

Informatics in Medicine Unlocked | November 2021

In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders

By Arpita Singha Roy, Md Sad Salabi Sawrav, Md Shahadat Hossain, Fatema Tuz Johura, Sk. Faisal Ahmed, Ithmam Hami, Md Kobirul Islam, Hasan Al Reza, Mohammad Iqbal H. Bhuiyan, Newaz Mohammed Bahadur, Md Mizanur Rahaman

This research aims to find potent inhibitors targeting the NKCC1 ion cotransporter, surpassing the efficacy of Bumetanide, a known inhibitor. NKCC1 is significant in neurological …

Read Full Paper
In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders
Journal of Biomolecular Structure and Dynamics | October 2021

Unlocking SGK1 inhibitor potential of bis-[1-N,7-N, pyrazolo tetraethoxyphthalimido{-4-(3,5-Dimethyl-4-(spiro-3-methylpyazolo)-1,7-dihydro-1H-dipyrazolo[3,4-b;4',3'-e]pyridin-8-yl)}]p-disubstituted phenyl compounds: a computational study

By Abhishek Kumar Verma, Sk. Faisal Ahmed, Md.Shahadat Hossain, Ali Asger Bhojiya, Sudhir K. Upadhyay, Abhishek K. Srivastava, Nripendra Singh, Harina Harina, Md. Mizanur Rahaman

The study explores the inhibitor potential of specific bis-[1-N,7-N, pyrazolo tetraethoxyphthalimido] compounds against the serum and glucocorticoid-regulated kinase 1 (SGK1). Thr…

Read Full Paper
Unlocking SGK1 inhibitor potential of bis-[1-N,7-N, pyrazolo tetraethoxyphthalimido{-4-(3,5-Dimethyl-4-(spiro-3-methylpyazolo)-1,7-dihydro-1H-dipyrazolo[3,4-b;4',3'-e]pyridin-8-yl)}]p-disubstituted phenyl compounds: a computational study
Journal of Biomolecular Structure and Dynamics | July 2021

Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin‐resistant Staphylococcusaureus

By Abhishek Kumar Verma, Sk. Faisal Ahmed, Md. Shahadat Hossain, Ali Asger Bhojiya, Ankita Mathur, Sudhir K. Upadhyay, Abhishek K. Srivastava, Naveen Kumar Vishvakarma, Mayadhar Barik

This article examines the effectiveness of flavonoid compounds against the penicillin-binding protein 2a (PBP-2a) of Methicillin-Resistant Staphylococcus aureus (MRSA). Through mo…

Read Full Paper
Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin‐resistant Staphylococcusaureus