📄 Research Papers
Identification of novel inhibitors of high affinity iron permease (FTR1) through implementing pharmacokinetics index to fight against black fungus: An in silico approach
Authors: Mahafujul Islam Quadery Tonmoy, Sk. Faisal Ahmed, Ithmam Hami, Md. Shahriar Kabir Shakil, Abhishek Kumar Verma, Mahmudul Hasan, Hasan Al Reza, Newaz Mohammed Bahadur, Md Mizanur Rahaman, Md Shahadat Hossain
Journal: Infection, Genetics and Evolution
Publication Date: Nov. 10, 2022
This study focuses on identifying novel inhibitors for the FTR1 protein to combat black fungus infections using pharmacokinetic indices. An in silico approach allows for the virtual screening of compounds, predicting their binding affinity and pharmacological properties, thus speeding up the drug discovery process against this pathogen.
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In silico identification of ethoxy phthalimide pyrazole derivatives as IL-17A and IL-18 targeted gouty arthritis agents
Authors: Abhishek Kumar Verma, Md. Shahadat Hossain, SK. Faisal Ahmed, Nasir Hussain, Mohammad Ashid, Sudhir K. Upadhyay,Naveen Kumar Vishvakarma,Ali Asger Bhojiya, Sandeep Kumar Srivastava
Journal: Journal of Biomolecular Structure and Dynamics
Publication Date: May 9, 2022
This research identifies inhibitors of BNAP, a target associated with the cytokines IL17A and IL18, which are implicated in the inflammatory process of gouty arthritis. Molecular docking and MD simulations, combined with MM-PBSA (Molecular Mechanics Poisson-Boltzmann Surface Area) calculations, are used to predict the efficacy of these inhibitors, providing insights into their potential as therapeutic agents.
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Identification of 1, 2, 4-Triazine and Its Derivatives Against Lanosterol 14-Demethylase (CYP51) Property of Candida albicans: Influence on the Development of New Antifungal Therapeutic Strategies
Authors: Abhishek Kumar Verma, Aarfah Majid, Md. Shahadat Hossain3, SK. Faisal Ahmed3,MohammadAshid, Ali Asger Bhojiya, Sudhir K. Upadhyay,Naveen Kumar Vishvakarma and Mudassir Alam
Journal: https://doi.org/10.3389/fmedt.2022.845322
Publication Date: March 28, 2022
The focus here is on identifying compounds effective against the Lanosterol 14-demethylase (CYP51) enzyme of Candida albicans, a critical target for antifungal therapy. The study evaluates the potential of 1, 2, 4-triazine derivatives in inhibiting CYP51, which could lead to new strategies in antifungal treatment development.
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In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders
Authors: 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
Journal: In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders
Publication Date: Nov. 12, 2021
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 conditions, and its inhibition could be beneficial for treating such disorders. The study employs in silico methods to identify and evaluate potential inhibitors.
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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
Authors: 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
Journal: Journal of Biomolecular Structure and Dynamics
Publication Date: Oct. 25, 2021
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). Through computational analyses, these compounds are evaluated for their ability to modulate SGK1 activity, which is implicated in various diseases, offering insights into new therapeutic avenues.
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Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin‐resistant Staphylococcusaureus
Authors: 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
Journal: Journal of Biomolecular Structure and Dynamics
Publication Date: July 9, 2021
This article examines the effectiveness of flavonoid compounds against the penicillin-binding protein 2a (PBP-2a) of Methicillin-Resistant Staphylococcus aureus (MRSA). Through molecular docking and simulation studies, the research assesses the binding efficiency of flavonoids to PBP-2a, potentially contributing to the development of new treatments for MRSA infections.
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