[HTML][HTML] Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges

I Salahshoori, M Golriz, MAL Nobre, S Mahdavi… - Journal of Molecular …, 2024 - Elsevier
Efficient drug delivery systems (DDSs) play a pivotal role in ensuring pharmaceuticals'
targeted and effective administration. However, the intricate interplay between drug …

Aromatase inhibitors as a promising direction for the search for new anticancer drugs

S Janowska, S Holota, R Lesyk, M Wujec - Molecules, 2024 - mdpi.com
Aromatase is an enzyme that plays a crucial role in the biosynthesis of estrogens, which are
hormones that contribute to the growth of certain types of breast cancer. In particular …

Phytochemicals from Amberboa ramosa as potential DPP-IV inhibitors for the management of Type-II diabetes mellitus: Inferences from in-silico investigations

RK Paul, I Ahmad, H Patel, V Kumar, K Raza - Journal of Molecular …, 2023 - Elsevier
Diabetes is a chronic metabolic disorder, and as per the global burden, it is estimated that
around 462 million people will be affected due to the cause of this disease. Currently …

Design, synthesis, in vitro anticancer and antimicrobial evaluation, SAR analysis, molecular docking and dynamic simulation of new pyrazoles, triazoles and …

HA Radwan, I Ahmad, IMM Othman… - Journal of Molecular …, 2022 - Elsevier
A new series of pyrazoles, triazoles and pyridazines based isoxazole were synthesized, and
well characterized. Their antibacterial, antifungal and cytotoxic activities were successfully …

Potent bioactive compounds from seaweed waste to combat cancer through bioinformatics investigation

KK Bharadwaj, I Ahmad, S Pati, A Ghosh… - Frontiers in …, 2022 - frontiersin.org
The seaweed industries generate considerable amounts of waste that must be appropriately
managed. This biomass from marine waste is a rich source of high-value bioactive …

Introduction of benzyloxy pharmacophore into aryl/heteroaryl chalcone motifs as a new class of monoamine oxidase B inhibitors

ST Sudevan, JM Oh, MA Abdelgawad… - Scientific reports, 2022 - nature.com
The inhibitory action of fifteen benzyloxy ortho/para-substituted chalcones (B1-B15) was
evaluated against human monoamine oxidases (hMAOs). All the molecules inhibited hMAO …

[HTML][HTML] Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents

JA Agwupuye, H Louis, TE Gber, I Ahmad… - Chemical Physics …, 2022 - Elsevier
The need for novel antiviral drug particularly for hepatitis B (HBV) and C (HCV) virus cannot
be over emphasized hence, this work focuses on the stability and intermolecular interaction …

In-vitro anticancer evaluation of newly designed and characterized tri/tetra-substituted imidazole congeners-maternal embryonic leucine zipper kinase inhibitors …

M Mahapatra, P Mohapatra, K Pakeeraiah… - International Journal of …, 2023 - Elsevier
Our cascading attempt to develop new potent molecules now involves designing a series of
imidazole derivatives and synthesizing two sets of 2, 4, 5-tri-substituted (4a–4d) and 1, 2, 4 …

[HTML][HTML] Design, synthesis, biological evaluation and in silico studies of novel 1, 2, 3-triazole linked benzoxazine-2, 4-dione conjugates as potent antimicrobial …

MB Hammouda, I Ahmad, A Hamdi, A Dbeibia… - Arabian Journal of …, 2022 - Elsevier
In an attempt to rationalize the search for new potential anti-inflammatory and anti-infection
agents, a new series of 1, 4-and 1, 5-disubstituted 1, 2, 3-triazoles linked benzoxazine …

Synthesizes, characterization, molecular docking and in vitro bioactivity study of new compounds containing triple beta lactam rings

MM Farhan, MA Guma, MA Rabeea, I Ahmad… - Journal of Molecular …, 2022 - Elsevier
Penicillin bioactivity is continuously decreased due to the misuses by people which resulted
in an antibiotics resistance. However, B-lactam ring is still an effect group the attack bacterial …