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 …

Glyceroglycolipids in marine algae: A review of their pharmacological activity

S Guo, Z Wang - Frontiers in Pharmacology, 2022 - frontiersin.org
Glyceroglycolipids are major metabolites of marine algae and have a wide range of
applications in medicine, cosmetics, and chemistry research fields. They are located on the …

[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 …

Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine …

N Mujafarkani, MA Ojong, AJ Ahamed… - Journal of Molecular …, 2023 - Elsevier
This study articulates the synthesis, spectroscopic characterization, solvation effects,
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …

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 …

Synthesis, characterization, molecular dynamic simulation, and biological assessment of cinnamates linked to imidazole/benzimidazole as a CYP51 inhibitor

AR Zala, DP Rajani, I Ahmad, H Patel… - Journal of Biomolecular …, 2023 - Taylor & Francis
Abstract A class of 2-(1 H-imidazol-1-yl)-1-phenylethyl cinnamates 6a-6j and 2-(1 H-benzo
[d] imidazol-1-yl)-1-phenylethyl cinnamates 7a-7j were synthesized, and their synthesis was …

Evaluation of oxindole derivatives as a potential anticancer agent against breast carcinoma cells: In vitro, in silico, and molecular docking study

S Puri, I Ahmad, H Patel, K Kumar, K Juvale - Toxicology in Vitro, 2023 - Elsevier
In this study we have performed the in vitro anticancer activity of spiro oxindole derivatives
against MCF-7 (human Adreno carcinoma) and MDA-MB-231 (triple negative breast cancer) …

Synthesis, docking, and biological investigations of new coumarin-piperazine hybrids as potential antibacterial and anticancer agents

KB Patel, S Mukherjee, H Bhatt, D Rajani… - Journal of Molecular …, 2023 - Elsevier
Structurally diversified coumarin analogs were found to display a remarkable array of affinity
with the different molecular targets. 4-hydroxy-7-methylcoumarin was synthesized from m …

Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation

AE Owen, CM Chima, I Ahmad, W Emori… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …

Development of isopropyl-tailed chalcones as a new class of selective MAO-B inhibitors for the treatment of Parkinson's disorder

S Kumar, JM Oh, MA Abdelgawad, MAS Abourehab… - ACS …, 2023 - ACS Publications
Thirteen isopropyl chalcones (CA1–CA13) were synthesized and evaluated for their
inhibitory activity against monoamine oxidase (MAO). All compounds inhibited MAO-B more …