Design, synthesis, X-ray crystal structures, anticancer, DNA binding, and molecular modelling studies of pyrazole–pyrazoline hybrid derivatives

M Rana, H Hungyo, P Parashar, S Ahmad… - RSC …, 2023 - pubs.rsc.org
We have designed and synthesized three pyrazole analogs (4, 5a, 5b), pyrazole-based
chalcones (6a–6d) and (8a–8h), and N-formyl/acetyl 1, 3, 5-trisubstituted pyrazoline analogs …

Synthesis, characterization, and in vitro antibacterial and cytotoxic study of Co (II), Ni (II), Cu (II), and Zn (II) complexes of N-(4-methoxybenzyl) N-(phenylethyl) …

A Singh, LB Prasad, K Shiv, R Kumar… - Journal of Molecular …, 2023 - Elsevier
Four new homoleptic complexes of Co (II)[C-1], Ni (II)[C-2], Cu (II)[C-3], and Zn (II)[C-4]
derived from N-(4-methoxybenzyl) N-(phenylethyl) dithiocarbamate ligand (KL) with general …

Spectroscopic, quantum computational, molecular dynamic simulations, and molecular docking investigation of the biologically important compound-2, 6 …

S Savita, A Fatima, P Bhattacharya, A Saral… - Spectroscopy …, 2024 - Taylor & Francis
To establish the role in future drug development, 2, 6-diamino pyridine (2, 6-DAP) was
investigated experimentally using computational tools. NMR (1H, 13C), FTIR, and UV–Vis …

Synthesis, crystal structure, Hirshfeld surface analysis, DFT investigation, and molecular docking, of novel organic dithiocarbamates obtained from Baylis-Hillman …

VP Sharma, V Kumar, R Singh, P Sonker… - Journal of Molecular …, 2024 - Elsevier
Several new organic dithiocarbamates were produced in aqueous ethanol using a one-pot
multicomponent reaction involving Baylis-Hillman adducts/alcohols, CS 2, and different …

Functionalized graphitic carbon nitride as adsorbent for the removal of arsenic and lead from groundwater

DC Onwudiwe, NH Seheri, NA Kgabi, DR Sahu - Discover Water, 2024 - Springer
Water pollution caused by highly toxic arsenic (As) and lead (Pb) poses a serious threat to
water quality. Hence, the development of materials for their effective removal from water …

Novel dihydrobenzofuran derivatives: design, synthesis, cytotoxic activity, apoptosis, molecular modelling and DNA binding studies

M Rana, I Ansari, C Twala, S Khan… - Journal of …, 2024 - Taylor & Francis
Abstract Pyrazoline derivatives (3a–3e) and (4a–4e) were designed and synthesized
through chalcones (2a–2e) cyclization with NH2NH2/HCOOH and NH2CSNHNH2 …

New anthracene-based Cu (I) dithiocarbamates as AIEgens

MH Nguyen, HH Nguyen, TH Dinh, TA Vu… - Journal of …, 2023 - Taylor & Francis
The syntheses and structural characterizations of a series of anthracene-tethered Cu (I)
phosphine dithiocarbamate complexes,[CuL (PPh3) 2], are described in this article. All …