Recent advancements in applications of ionic liquids in synthetic construction of heterocyclic scaffolds: A spotlight

TM Dhameliya, PR Nagar, KA Bhakhar… - Journal of Molecular …, 2022 - Elsevier
Heterocycles constitute the integral part of the most of United States food and drug
administration (USFDA) approved drugs. Over the past decade, ionic liquids have emerged …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic …

KJ Rajimon, N Elangovan, AA Khairbek… - Journal of Molecular …, 2023 - Elsevier
Schiff bases have been developed as potent biological agents due to their advanced
physical, chemical and biomedical characteristics. Herein, 2 and 4 chloro anilines …

Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzenesulfonamide from 5 …

J Geethapriya, A Shanthidevi, M Arivazhagan… - Journal of the Indian …, 2022 - Elsevier
Abstract Schiff base (E)-4-(((5-methylfuran-2-yl) methylene) amino) benzene sulfonamide
(5M2FNI) compound was synthesized with coordination of 5-methyl-2-furaldehyde and …

Synthesis, structural, computational, electronic spectra, wave function properties and molecular docking studies of (Z)-4-(((5-methylfuran-2-yl) methylene) amino)-N …

G Thilagavathi, A Kanagavalli, R Jayachitra… - Journal of the Indian …, 2022 - Elsevier
Abstract The (Z)-4-(((5-methylfuran-2-yl) methylene) amino)-N-(thiazol-2-yl) benzene
sulfonamide (5M2FTH) was synthesized and characterized by the Infrared, UV–Visible, and …

Synthesis, Computational, Electronic spectra, and molecular docking studies of 4-((diphenylmethylene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide

R Jayachitra, G Thilagavathi, A Kanagavalli… - Journal of the Indian …, 2023 - Elsevier
Abstract The 4-((diphenylmethylene) amino)-N-(pyrimidin-2-yl) benzenesulfonamide
(BENDA) was synthesized and characterized by the Infrared, UV-Visible, and NMR analysis …

In search of SARS CoV-2 replication inhibitors: virtual screening, molecular dynamics simulations and ADMET analysis

PR Nagar, ND Gajjar, TM Dhameliya - Journal of Molecular Structure, 2021 - Elsevier
Severe acute respiratory syndrome has relapsed recently as novel coronavirus causing a
life threat to the entire world in the absence of an effective therapy. To hamper the replication …

[HTML][HTML] A review on synthetic account of 1, 2, 4-oxadiazoles as anti-infective agents

TM Dhameliya, SJ Chudasma, TM Patel, BP Dave - Molecular Diversity, 2022 - Springer
Most of the currently marketed drugs consist of heterocyclic scaffolds containing nitrogen
and or oxygen as heteroatoms in their structures. Several research groups have synthesized …

Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches

HM Rehman, M Sajjad, MA Ali, R Gul, M Naveed… - International Journal of …, 2023 - Elsevier
The outbreak of novel Coronavirus, an enduring pandemic declared by WHO, has
consequences to an alarming ongoing public health menace which has already claimed …

Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …

A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …