Synthesis, spectroscopic characterization, single crystal XRD, Hirshfeld Surface analysis and theoretical studies (DFT) of 4-adamantyl-(2-(substitutedbenzylidene) …

Y Iqbal, M Haroon, T Akhtar, M Ashfaq, MN Tahir… - Journal of Molecular …, 2022‏ - Elsevier
In present work, two novel adamantyl based thiazoles were synthesized via simple
cyclization reaction of 1-(substitutedbenzylidene) thiosemicarbazides (2) and 1-adamantyl …

Exploring the inhibitory potential of novel bioactive compounds from mangrove actinomycetes against nsp10 the major activator of SARS-CoV-2 replication

S Muhammad, M Qaisar, J Iqbal, RA Khera… - Chemical Papers, 2022‏ - Springer
The current study reveals the inhibitory potential of novel bioactive compounds of mangrove
actinomycetes against nsp10 of SARS-CoV-2. A total of fifty (50) novel bioactive …

The iron (III) and nickel (II) complexes with tetradentate thiosemicarbazones. Synthesis, experimental, theoretical characterization, and antiviral effect against SARS …

BA Arslan, B Kaya, O Şahin, S Baday… - Journal of Molecular …, 2021‏ - Elsevier
The discovery of new inhibitors that can be used in the treatment of viral diseases, including
Covid-19, is an area open to research, and there is a need for innovative compounds with …

Synthesized thiazole-based hydrazides and their spectral characterization along with biological studies: Promising quantum chemical insights

M Haroon, T Akhtar, M Khalid, SS Zahra, I Haq… - Journal of Molecular …, 2022‏ - Elsevier
Hydrazide scaffold is very significant in medicinal and synthetic chemistry. Hydrazides lead
to heterocyclic pharmacophores exhibiting substantial physicochemical properties …

Molecular modeling and docking studies of new antioxidant pyrazole-thiazole hybrids

AA Alfi, A Alharbi, J Qurban, MM Abualnaja… - Journal of Molecular …, 2022‏ - Elsevier
The phenoxyacetamide moiety was used as a link bridge in the synthesis of a series of novel
pyrazole-integrated thiazole derivatives. The condensation of the precursor 2-(4 …

Spectral (FT-IR, NMR, UV) characterization, DFT studies, and molecular docking of hydrazine derivatives as antiviral agent for yellow fever (YFV)

EED Okon, C Osondu-Anyanwu, HO Edet… - Journal of Molecular …, 2024‏ - Elsevier
Yellow fever virus continues to break out and claim lives in Africa and South America despite
the availability of a vaccine. Furthermore, there are reports of neurological and multiorgan …

Synthesis, characterization, antioxidant, antibacterial activity, and molecular docking studies of Zn (II) and Cu (II) complexes nanoparticles

SS Ibrahim, MY Al-darwesh, SW Arkawazi… - Journal of Molecular …, 2025‏ - Elsevier
This study involved the synthesis and characterization of a new Schiff base ligand, prepared
by reacting 3-nitrobenzaldehyde with thiourea in ethanol as the reaction medium …

Virtual screening of potential inhibitor against breast cancer-causing estrogen receptor alpha (ERα): molecular docking and dynamic simulations

S Muhammad, A Saba, RA Khera… - Molecular …, 2022‏ - Taylor & Francis
Breast cancer (Bca) causes the highest rate of mortality in females owing to the out-of-
control cell division in breast cells. In this work, we perform an in-silico screening based on …

4-Adamantyl-(2-(arylidene) hydrazinyl) thiazoles as potential antidiabetic agents: experimental and docking studies

Y Iqbal, T Akhtar, M Haroon, H Mehmood… - Future Medicinal …, 2023‏ - Taylor & Francis
Aim: To develop an efficient and cost-effective antidiabetic agent. Methods: A simple and
convenient Hantzsch synthetic strategy was used to prepare 4-adamantyl-(2-(arylidene) …

Synthesis of Thiazole‐Chalcone Hybrid Molecules: Antioxidant, Alpha (α)‐Amylase Inhibition and Docking Studies

H Iqbal, T Akhtar, M Haroon, A Aktaş… - Chemistry & …, 2023‏ - Wiley Online Library
The molecular hybrid approach is very significant to combat various drug‐resistant
disorders. A simple, convenient, and cost‐effective synthesis of thiazole‐based chalcones is …