Synthesis, antimicrobial, antibiofilm and computational studies of isatin-semicarbazone tethered 1, 2, 3-triazoles
In present era, heterocyclic compounds containing two or three nitrogen atoms play a vital
role in drug discovery. In this context, a new class of isatin-semicarbazone tethered 1, 2, 3 …
role in drug discovery. In this context, a new class of isatin-semicarbazone tethered 1, 2, 3 …
Click reaction inspired synthesis, antimicrobial evaluation and in silico docking of some pyrrole-chalcone linked 1, 2, 3-triazole hybrids
The discovery of small organic molecules as new antimicrobial agents is a promising
strategy for encountering the problem of multidrug-resistant microbial strains. In an attempt …
strategy for encountering the problem of multidrug-resistant microbial strains. In an attempt …
Binding study of antibacterial drug ciprofloxacin with imidazolium-based ionic liquids having different halide anions: A spectroscopic and density functional theory …
Herein, we have shown the interaction of an antibiotic drug ciprofloxacin (CIP) with three
surface-active ionic liquids (ILs), having the same cation and different anions, namely, 1 …
surface-active ionic liquids (ILs), having the same cation and different anions, namely, 1 …
An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations
In the present work, we have designed three molecules, acyclovir (A), ganciclovir (G) and
derivative of hydroxymethyl derivative of ganciclovir (CH 2 OH of G, that is D) and …
derivative of hydroxymethyl derivative of ganciclovir (CH 2 OH of G, that is D) and …
DFT calculations, molecular docking and SAR investigation for the formation of eutectic mixture using thiourea and salicylic acid
APS Raman, MB Singh, M Chaudhary, I Bahdur… - Journal of Molecular …, 2022 - Elsevier
The eutectic mixture is a mixture of two or more components and freezes congruently and
helpful for many applications. In this work, we have designed the eutectic mixture using …
helpful for many applications. In this work, we have designed the eutectic mixture using …
Investigate oxoazolidine-2, 4-dione based eutectic mixture via DFT calculations and SAR
In this work, DFT calculations for the designed eutectic mixtures (EMs) using oxoazolidine 2,
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …
A biophysical approach to study the impact of muscle relaxant drug tizanidine on stability and activity of serum albumins
The binding affinity of a drug with carrier proteins plays a major role in the distribution and
administration of the drug within the body. Tizanidine (TND) is a muscle relaxant having …
administration of the drug within the body. Tizanidine (TND) is a muscle relaxant having …
Exploration of DFT and TD-DFT computation to investigate the interaction between paracetamol and lithium or its compounds
Paracetamol is a commonly used antipyretic drug and its consumption drastically was
increased during the COVID-19 times as fever was one of the symptoms. The excessive …
increased during the COVID-19 times as fever was one of the symptoms. The excessive …
In silico study on antidiabetic and antioxidant activity of bioactive compounds in Ficus carica L
APS Raman, S Pongpaiboon, R Bhatia… - Journal of …, 2023 - Taylor & Francis
Hyperglycemia is one of the diagnostic issues in diabetes mellitus and is considered as a
complex metabolic condition. It has been one of the most prevalent illnesses of the twenty …
complex metabolic condition. It has been one of the most prevalent illnesses of the twenty …
Facile synthesis, antimicrobial screening and docking studies of pyrrole-triazole hybrids as potential antimicrobial agents
The insurgence in microbial resistance has led to urgent requirement of new and upgraded
antimicrobial agents with new biological targets, higher potency, cost-effectiveness and low …
antimicrobial agents with new biological targets, higher potency, cost-effectiveness and low …