NOPR Collection:http://nopr.niscpr.res.in/handle/123456789/620262026-10-09T07:59:48Z2026-10-09T07:59:48ZSynthesis, molecular docking and anti-inflammatory potential of novel hydrazones of eugenol in tuberculosis treatmentRohane, Sachin HRedasani, Vivekkumar KFuloria, Neeraj KumarFuloria, Shivkanyahttp://nopr.niscpr.res.in/handle/123456789/620382023-06-15T08:31:40Z2023-06-01T00:00:00ZTitle: Synthesis, molecular docking and anti-inflammatory potential of novel hydrazones of eugenol in tuberculosis treatment
Authors: Rohane, Sachin H; Redasani, Vivekkumar K; Fuloria, Neeraj Kumar; Fuloria, Shivkanya
Abstract: The hydrazone derivatives of eugenol have been designed and synthesized via esterification, hydrazination and treatment
with different aldehydes or ketones. All these compounds have been docked with 4COX and 3LN1 (COX-2 enzymes) using
Schrodinger v7.4. The compounds have been characterized by IR, 1H NMR and LCMS. The compounds have been
evaluated for their anti-inflammatory potential using in vivo carrageenan induced rat hind paw method and in vitro protein
denaturation. The study reveals that most compounds have significant anti-inflammatory activity. Tested compounds as per
literature prove that they show antitubercular activity. Among tested compounds, compounds 4, 34, 37 and 42 exhibit the
highest anti-inflammatory activity. The present study shows that anti-inflammatory activity of the novel hydrazone
derivatives of eugenol is strongly connected with the position of the substituent on aromatic aldehyde or ketone. As these
compounds possess both the activities, therefore they may be useful in tuberculosis treatment.
Page(s): 551-5582023-06-01T00:00:00ZEvaluation of drug likeliness of (Z)-4-((4-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one by computational analysis against coronavirus and T-cells of immune systemM, GowriS, Athimoolamhttp://nopr.niscpr.res.in/handle/123456789/620372023-06-15T07:23:28Z2023-06-01T00:00:00ZTitle: Evaluation of drug likeliness of (Z)-4-((4-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one by computational analysis against coronavirus and T-cells of immune system
Authors: M, Gowri; S, Athimoolam
Abstract: The Schiff base (Z)-4-((4-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazole-3-
one (VAP) has been synthesized by the condensation of 4-aminoantipyrine with vanillin and and characterized by FT-IR, 1H
and 13C NMR spectroscopy. The structure of the synthesized compound has been confirmed by single-crystal X-ray
diffraction studies, which shows that four units of the compound are in an asymmetric part of the crystal structure. The
potential activity of synthesized Schiff base compound has been determined by molecular docking with T-cells (6bnk) and
against Coronavirus (6lu7).
Page(s): 559-5672023-06-01T00:00:00ZA study on synthesis, antioxidant, anticancer activities and docking study of novel benzimidazoloyl thiazole derivativesV S, ChithraJ, BrindhaMariappan, ASimon, TuribiusF, Abbs Fen Reji Thttp://nopr.niscpr.res.in/handle/123456789/620362023-06-15T06:59:46Z2023-06-01T00:00:00ZTitle: A study on synthesis, antioxidant, anticancer activities and docking study of novel benzimidazoloyl thiazole derivatives
Authors: V S, Chithra; J, Brindha; Mariappan, A; Simon, Turibius; F, Abbs Fen Reji T
Abstract: 2-(Substituted-amino)-5-(1-methylbenzimidazol-2-oyl)thiazoles have been synthesized by the reaction of 2-(2-
bromoacetyl)-1-methylbenzimidazole and 1-(substituted-amino)-3-(N,N-dimethylimidoyl)thioureas in the presence of triethyl
amine. The structure of the newly synthesized benzmidazoloyl thiazole analogues have been confirmed by spectroscopic
techniques. The in vitro antioxidant activity has been studied using DPPH assay and anticancer activity has been studied using
MTT assay against human colon adenocarcinoma cells. In silico studies have been performed to predict the binding modes of
the compounds with the cyclin-dependent kinase protein 5FGK. It is evident from the current results that all the synthesized
compounds exhibit remarkable antioxidant and anticancer potential.
Page(s): 568-5742023-06-01T00:00:00ZViscometric and refractive index study of intermolecular interaction between binary mixtures of terpinolene with o-, m- and p-cresol at 303.15, 308.15 and 313.15 KPatel, ParasSharma, Sangitahttp://nopr.niscpr.res.in/handle/123456789/620352023-06-15T06:54:46Z2023-06-01T00:00:00ZTitle: Viscometric and refractive index study of intermolecular interaction between binary mixtures of terpinolene with o-, m- and p-cresol at 303.15, 308.15 and 313.15 K
Authors: Patel, Paras; Sharma, Sangita
Abstract: Viscosities and refractive indexes 𝑛 were experimentally measured for binary mixtures of terpinolene with o-, m- and
p-cresol for entire composition range at 303.15, 308.15 and 313.15 K and at atmospheric pressure. Deviation in
viscosity Δ𝜂, excess Gibbs energy of activation for viscous flow Δ𝐺∗, enthalpy Δ𝐻∗ and entropy Δ𝑆∗ of viscous
flow, deviation in refractive index Δ𝑛, molar refraction 𝑅 and deviation in molar refraction Δ𝑅 were also
calculated. Various theoretical viscosity relations such as Dolezalek-Schulze (𝐷, Grunberg-Nissan 𝐺, Tamura-Kurata
𝑇, Katti-Chaudhri (𝑊/𝑅𝑇, McAllister relation (𝑀 and 𝑀), Kendall-Munroe relation, Bingham relation and
Arrhenius-Eyring relation were calculated. Similarly, nine theoretical refractive index relations such as Arago-Biot (A-B),
Dale-Glastone (D-G), Lorentz-Lorentz (L-L), Eykman (Eyk), Weiner (WR), Heller (Hr), Newton (Nw), Oster (Os) and
Eyring-John (E-J) were also calculated with their standard deviation 𝜎 values. Results were discussed in terms of the
presence of intermolecular interactions between the components of binary mixtures.
Page(s): 575-5852023-06-01T00:00:00Z