Dr. Sunil Meghani

Scopus Publications

A Rational Approach To Antitubercular Drug Design: Molecular Docking, Prediction of ADME Properties and Evaluation of Antitubercular Activity of Novel Isonicotinamide Scaffold
Paramita Das, Sharanakumar R. Gumma, Anjali Nayak, Sunil Menghani, Jithendar R. Mandhadi, Padmavathi P. Prabhu
Recent Advances in Anti Infective Drug Discovery, 2024
Introduction: One of the most devastating and leading diseases is Tuberculosis (TB), caused by Mycobacterium tuberculosis. Even though many synthetic drugs are available in the market, to increase the therapeutic efficacy and reduce toxicity. Isoniazid is the primary drug used in the treatment of tuberculosis. Methods: The main objective of the study is to perform molecular docking studies and synthesize the derivatives of isonicotinamide along with the anti-tubercular activity. The isonicotinamide derivatives (a-j) are prepared using isoniazid, carbon disulphate, methyl cyanide, and benzaldehyde derivatives and characterized by TLC, IR, 1HNMR, and Mass spectroscopy. The enzyme decaprenylphosphoryl-D-ribose oxidase (DprE1) of M. tuberculosis had good binding capacity with all the ligands revealed in molecular docking studies. In-vitro studies indicated that all the ligands showed anti-tuberculosis with strain M. tuberculosis. Results: The analysis was based on the binding energy and minimum inhibitory concentration (MIC). The highest and lowest binding energy is -4.22 Kcal/mol (f) and -8.45 Kcal/mol (d), and the MIC for compound d was found to be 644.22 nM. Among all the ligands, compound 5d has the most cytotoxic effect and lower IC50 values and better bioavailability. Conclusion: This investigation helps in the development of better anti-tubercular therapy.
New Benzopyrrole Derivatives: Synthesis and Appraisal of Their Potential as Antimicrobial Agents
Deweshri Nandurkar, Sunil Menghani, Kishor Danao, Vijayshri Rokde, Nilesh Rarokar, Pramod Khedekar, Supriya Mana
Chemistry and Biodiversity, 2023
A series of twenty compounds (23–42) were synthesized and characterized by spectral studies in order to explore newer antimicrobial compounds. The majority of the synthesized compounds reported significant antimicrobial properties against various pathogenic bacterial and fungal strains with the help of tube dilution method. Significant activities (MIC ranging from 3.9 to 15.62 μg/ml) have been shown against Gram‐negative and Gram‐positive bacteria with. In contrast, moderate to outstanding antibacterial activity was reported versus Gram‐negative bacteria such as E. coli and P. aeruginosa along with Gram‐positive bacteria such as S. aureus and B. subtilis. While antifungal activity was moderate to excellent against two fungus strains (Candida tropicalis, Candida glabrata). Compounds 25 and 34 had the utmost activity versus Gram‐positive and Gram‐negative bacteria too. The antifungal activity of compound 35 was comparable to that of standard. In‐silico Molecular docking evaluations were performed for antibacterial and antifungal activities against the target DNA gyrase A (PDB: 1AB4) and 14 alpha‐sterol demethylase enzyme (PDB: 1EA1), respectively. The dock score for typicals compounds for antibacterial and antifungal activity were −4.733 and −9.4, respectively. The three‐dimensional QSAR examination was carried out by multiple linear regression (SA‐MLR) with good predictive power (r2=0.9105, q2=0.8011). Establishment of several interactions between the ligand 25 and 34 and the active site of residue of both receptors, enable the ligand 25 and 34 to be fit well in the pocket of the active site, as seen in Molecular dynamics simulations analysis. Thus, data suggest that these ligands could be further explored as potential precursors to develop antimicrobial drugs.
Editorial: Synergistic therapy for invasive fungal infection
Sunil S. Menghani, Deweshri Nandurkar, Nilesh R. Rarokar
Frontiers in Cellular and Infection Microbiology, 2023
COPYRIGHT © 2023 Menghani, Nandurkar and Rarokar. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. TYPE Editorial PUBLISHED 14 July 2023 DOI 10.3389/fcimb.2023.1227837
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold
Sunil Menghani, Ganesh Munde, Nilesh Rarokar, Deweshri Kerzare, Md. Asif Iqbal Chittur, Pramod Khedekar
Letters in Drug Design and Discovery, 2023
Background: The heterocyclic nucleus pyrimidine is present in several natural and synthetic chemical analogues and has proved its broad medicinal applications. Further, pyrimidine in the form of parent structure or basic skeleton of RNA and DNA is involved in controlling the immune functioning, and in turn, inflammatory reactions. Objective: The objective of the present study is to evaluate some novel pyrimidine analogues for antiinflammatory action. Methods: Molecular docking studies of Indomethacin and selected analogues were carried out with the COX-2 enzyme (PDB: 4ZOL). The synthesis of derivatives of 4-Phenyl-6-(phenylamino)pyrimidine-2-ol derivatives was begun by following Perkin condensation between substituted acetanilides and substituted aromatic aldehydes to yield an intermediate, which in turn produces the required nucleus for treatment with urea. All synthesized compounds were evaluated for in vivo and in vitro anti-inflammatory activity. Results: The docking interaction reflects a good dock score when compared with indomethacin, a potent Anti-inflammatory drug. In the majority of the compounds, pyrimidine was able to form hydrogen bonding while the rest of the part was involved in hydrophobic bonding. All compounds were synthesized in good yield and confirmed by physical and spectral studies. In vitro studies showed that compounds 5a and 5e were better at controlling inflammation than the conventional treatment Antipyrine, while in vivo data showed that compounds 5a, 5c, 5e, and 5h were better at controlling inflammation than the standard drug Antipyrine. Conclusion: The compound with more than one electron releasing group on the aniline moiety of pyrimidine yields a decent result in the synthetic and experimental studies, but the absence of an electron withdrawing group favours stronger anti-inflammatory activity on the target.
Preparation of Terbinafin-Encapsulated Solid Lipid Nanoparticles Containing Antifungal Carbopol® Hydrogel with Improved Efficacy: In Vitro, Ex Vivo and In Vivo Study
Nilesh R. Rarokar, Sunil S. Menghani, Deweshri R. Kerzare, Pramod B. Khedekar, Ashish P. Bharne, Abdulhakeem S. Alamri, Walaa F. Alsanie, Majid Alhomrani, Nagaraja Sreeharsha, Syed Mohammed Basheeruddin Asdaq
Pharmaceutics, 2022
The present research was aimed to develop a terbinafin hydrochloride (TH)-encapsulated solid lipid nanoparticles (SLNs) hydrogel for improved antifungal efficacy. TH-loaded SLNs were obtained from glyceryl monostearate (lipid) and Pluronic® F68 (surfactant) employing high-pressure homogenization. The ratio of drug with respect to lipid was optimized, considering factors such as desired particle size and highest percent encapsulation efficiency. Lyophilized SLNs were then incorporated in the hydrogel prepared from 0.2–1.0% w/v carbopol 934P and further evaluated for rheological parameters. The z-average, zeta potential and polydispersity index were found to be 241.3 nm, −15.2 mV and 0.415, respectively. The SLNs show a higher entrapment efficiency of about 98.36%, with 2.12 to 6.3602% drug loading. SEM images, XRD and the results of the DSC, FTIR show successful preparation of SLNs after freeze drying. The TH-loaded SLNs hydrogel showed sustained drug release (95.47 ± 1.45%) over a period of 24 h. The results reported in this study show a significant effect on the zone of inhibition than the marketed formulation and pure drug in Candida albicans cultures, with better physical stability at cooler temperatures. It helped to enhance skin deposition inthe ex vivostudy and improved, in vitro and in vivo, the antifungal activity.
Development of novel indole-linked pyrazoles as anticonvulsant agents: A molecular hybridization approach
Deweshri R. Kerzare, Sunil S. Menghani, Nilesh R. Rarokar, Pramod B. Khedekar
Archiv Der Pharmazie, 2021
A series of 3‐{2‐[1‐acetyl‐5‐(substitutedphenyl)‐4,5‐dihydropyrazol‐3‐yl]hydrazinylidene}‐1,3‐dihydro‐2H‐indol‐2‐ones 24–43 was synthesized using an appropriate synthetic route and evaluated experimentally by the maximal electroshock test. These compounds were evaluated for antidepressant and antianxiety activities. The most active compound, 3‐{2‐[1‐acetyl‐5‐(4‐chlorophenyl)‐4,5‐dihydropyrazol‐3‐yl]hydrazinylidene}‐1,3‐dihydro‐2H‐indol‐2‐one 25, exhibited an ED50 of 13.19 mmol/kg, a TD50 of 43.49 mmol/kg, and a high protective index of 3.29, compared with the standard drug diazepam. To get insights into the intermolecular interactions, molecular docking studies were performed at the active site of the GABAA receptor and the MAO‐A enzyme. Molecular docking studies are also in agreement with the pharmacological evaluation with potent compounds, exhibiting docking scores of −1.5180 and 0.7458 for the GABAA receptor and MAO‐A, respectively. The 3D‐QSAR analysis was carried out by Vlife MDS engine 4.3.1, and a statistically reliable model with good predictive power (r2 = 0.7523, q2 = 0.3773) was achieved. The 3D‐QSAR plots gave insights into the structure–activity relationship of these compounds, which may aid in the design of potent benzopyrrole derivatives as anticonvulsant agents. So, our research can make a great impact on those medicinal chemists who work on the development of anticonvulsant agents.
Synthesis, characterization, antidepressant activity and docking studies of some novel indole bearing azetidinone derivatives
Deweshri Rajendrakumar Kerzare, Sunil Sugnomal Menghani, Pramod Bhujangrao Khedekar
Indian Journal of Pharmaceutical Education and Research, 2018
Context: In general, indole bearing azetidinone derivatives are exhibiting various biological activities. The evaluation of pharmacological potential of the indole bearing azetidinone derivatives as antidepressant agent has been relatively less explored. To get insight of the intermolecular interactions, the molecular docking studies are performed at active site of MAO-A enzyme. Aim: In this study, an attempt has been made to generate new molecular template by linking two pharmacophores (indole and azetidinone), which are likely to exhibit antidepressant-like action in animal models. Methods: The derivatives was synthesized by conventional reactions and characterized by various spectrometric methods. The derivatives were evaluated for antidepressant activity by using forced swim test. Molecular docking studies of the synthesized derivatives with MAO-A enzyme were carried on Vlife MDS Molecular Modelling software, version 4.3.1. by using k-nearest neighbour genetic algorithm method. Results: All the final structures were assigned on the basis of IR, 1H NMR, mass spectra and elemental analyses. The antidepressant evaluation exhibited final derivatives 26 and 36 as promising molecules with percentage decrease in immobility duration 66.82 and 65.61 respectively. Molecular docking studies are also in agreement with pharmacological evaluation with potent compounds exhibiting dock score -2.8474. Conclusion: It can be concluded that these compounds may have enough potential to be developed as antidepressant agent. It can be further studied for their structure-activity relationship (SAR) studies and developed into potential lead molecules. So our research can make a great impact on those medicinal chemists who work on the development of MAO-A inhibitors.
Facile and efficient synthesis of benzoxazole derivatives using novel catalytic activity of PEG-SO3H
Rupesh V. Chikhale, Amit M. Pant, Sunil S. Menghani, Pankaj G. Wadibhasme, Pramod B. Khedekar
Arabian Journal of Chemistry, 2017
A highly efficient, simple and rapid method for the preparation of various 2-aminobenzoxazoles and other benzoxazole derivatives using a catalytic amount of poly (ethylene glycol)-bound sulfonic acid (PEG-SO 3 H) is described. PEG-SO 3 H is found to be an economical and reusable catalyst with low catalytic loading. The percent yield was found to be satisfactory, experimental set up and purification of final products are facile and easy.
Molecular docking, synthesis and CNS activity of some novel 1, 4-Benzodiazepine derivatives
Sunil S. Menghani, Rupesh Chikhale, Amit Pant, Bijo Mathew, Pramod Khedekar
Letters in Drug Design and Discovery, 2017
Recent advances in nanoparticulate drug delivery system for antiviral drugs
Nanomedicine and Tissue Engineering State of the Art and Recent Trends, 2016
Development of selective DprE1 inhibitors: Design, synthesis, crystal structure and antitubercular activity of benzothiazolylpyrimidine-5-carboxamides
Rupesh Chikhale, Sunil Menghani, Ramavath Babu, Ratnadeep Bansode, G. Bhargavi, Nazira Karodia, M.V. Rajasekharan, Anant Paradkar, Pramod Khedekar
European Journal of Medicinal Chemistry, 2015
Poly (ethylene glycol)-bound sulphonic acid as a novel catalyst for synthesis of benzoxazoles
South African Journal of Chemistry, 2013
Chandipura Virus: An emerging tropical pathogen
Sunil Menghani, Rupesh Chikhale, Ami Raval, Pankaj Wadibhasme, Pramod Khedekar
Acta Tropica, 2012
Antitumor and antioxidant activities of Triumfetta rhomboidea against Ehrlich ascites carcinoma bearing Swiss Albino mice
Research Journal of Pharmaceutical Biological and Chemical Sciences, 2010

Dr. Sunil Meghani

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