Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin …

S Akash, I Bayıl, MS Hossain, MR Islam, ME Hosen… - Scientific Reports, 2023 - nature.com
The present study deals with the advanced in-silico analyses of several Apigenin derivatives
to explore human papillomavirus-associated cervical cancer and DNA polymerase theta …

Antimalarial drug discovery against malaria parasites through haplopine modification: an advanced computational approach

S Akash, G Abdelkrim, I Bayil, ME Hosen… - Journal of Cellular …, 2023 - Wiley Online Library
The widespread emergence of antimalarial drug resistance has created a major threat to
public health. Malaria is a life‐threatening infectious disease caused by Plasmodium spp …

Synthesis, molecular docking, molecular dynamic, quantum calculation, and antibacterial activity of new Schiff base-metal complexes

HE Hashem, A Nath, A Kumer - Journal of Molecular Structure, 2022 - Elsevier
The transition metals Co (II) and Cu (II) metal containing Schiff base-metal complexes are
highly biological significance molecule for antimicrobial activity, as a result this study has …

Anti-parasitic drug discovery against Babesia microti by natural compounds: an extensive computational drug design approach

S Akash, ME Hosen, S Mahmood, SJ Supti… - Frontiers in Cellular …, 2023 - frontiersin.org
Tick-borne Babesiosis is a parasitic infection caused by Babesia microti that can infect both
animals and humans and may spread by tick, blood transfusions, and organ transplantation …

Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking …

M Alam, MN Abser, A Kumer, MMH Bhuiyan, P Akter… - Heliyon, 2023 - cell.com
The thiosemicarbazones and their derivatives have been recognized as antimicrobial
agents against human pathogenic bacteria and fungi. Regarding these prospective, this …

[HTML][HTML] Investigation of the new inhibitors by sulfadiazine and modified derivatives of α-d-glucopyranoside for white spot syndrome virus disease of shrimp by in silico …

A Kumer, U Chakma, MM Rana, A Chandro, S Akash… - Molecules, 2022 - mdpi.com
The α-D-glucopyranoside and its derivatives were as the cardinal investigation for
develo** an effective medication to treat the highest deadly white spot syndrome virus …

[PDF][PDF] The prediction and theoretical study for chemical reactivity, thermophysical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT …

MJ Islama, A Kumerb, N Sarkera, S Paulc, A Zannatb - interactions, 2019 - academia.edu
Morphine is recognized as a highly-potent opiate analgesic drug [1] and is used the vital
active agent in opium and the prototypical opioid [2]. The animated activity of morphine acts …

Identification of Helicobacter pylori‐carcinogenic TNF‐alpha‐inducing protein inhibitors via daidzein derivatives through computational approaches

JZ Tayyeb, S Mondal, M Anisur Rahman… - Journal of Cellular …, 2024 - Wiley Online Library
Gastric cancer is considered a class 1 carcinogen that is closely linked to infection with
Helicobacter pylori (H. pylori), which affects over 1 million people each year. However, the …

[PDF][PDF] The computational screening of inhibitor for black fungus and white fungus by D-glucofuranose derivatives using in silico and SAR study.

A Kumer, U Chakma, MM Matin, S Akash… - Organic …, 2021 - acgpubs.org
Black fungus is the foremost life-threatening disease during the SARS-CoV-2 affected
patients and spreading quickly in the region of the subcontinent of India although there was …

[HTML][HTML] Modified D-glucofuranose computationally screening for inhibitor of breast cancer and triple breast cancer: Chemical descriptor, molecular docking, molecular …

A Kumer, U Chakma, A Chandro… - Journal of the Chilean …, 2022 - SciELO Chile
Drug discovery and the process of new drug design have been formulated much easier in
the past two decades by introducing, proliferation of combined physical, biochemical …