Abu Tayab Moin

This study identifies potential NiV-G inhibitors from Peruvian phytochemicals using computational biophysics methods, highlighting procyanidins B2, B3, B7, and C1 as lead compounds.

The paper identifies four potential inhibitors of IMPDH in Cryptosporidium parvum using in silico methods, showing good pharmacokinetics and low toxicity.

This study identifies harmala alkaloids as potential antimalarial agents by inhibiting essential Plasmodium falciparum proteins through in silico analysis.

This study evaluates plant-derived metabolites for their antifungal activity against Magnaporthe oryzae, identifying Hecogenin and Cucurbitacin E as promising fungicidal candidates through molecular docking and dynamics simulations.

This paper develops and characterizes co-crystals of curcumin using in-silico screening to enhance solubility and permeability, showing significant improvements in dissolution and permeability compared to pure curcumin.

This study designs remdesivir derivatives targeting SARS-CoV-2 RdRp and MPro using molecular docking and dynamics simulations to improve efficacy and stability.

This study designs a multi-epitope vaccine against HTLV using molecular dynamics and docking analyses, showing strong TLR binding and stability.

The paper identifies three potential drug targets in Candida auris through subtractive proteomics and evaluates four plant-derived compounds for their binding affinity and safety.

This study investigates the oncogenic roles and clinical significance of DCTN1-6 in LIHC using multi-omics data, finding their differential expression, methylation, mutation, and association with survival and immune infiltration.