Anjali Jha
@gitam.edu
Professor and Chemistry
GITAM University
EDUCATION
MSc in Organic Chemistry, B.Ed., PhD from BHU
RESEARCH INTERESTS
Green Synthetic Chemistry ,Activity studies and Solar cell application
Scopus Publications
Scopus Publications
VENKATA SAI SURESH KUMAR SISTA, ANJALI JHA, and VLNSH HARI HARAN A.
Innovare Academic Sciences Pvt Ltd
Objective: The quality by design (QbD) guided, robust, and environmentally sustainable HPLC method was developed for the simultaneous quantification of elacestrant and its process-related impurities. Methods: The method optimisation uses organic solvent composition, mobile phase pH, and flow rate as critical method parameters. Based on structural features and pKa values of the analytes, separation was achieved on a hypersilgold C18 (250 × 4.6 mm, 5 µm) column using a green mobile phase of ethanol and 0.1% aqueous formic acid (65:35, v/v) at pH 3.4 at a 0.7 mL/min flow rate,achieving baseline resolution between elacestrant and its close eluting dihydrochloride impurity ( = 3.1) with good symmetry (tailing factor ~1.1) and a total run time of 13 min. Results: The method validation demonstrates excellent linearity (r² > 0.999), accuracy (recoveries 99–101%), precision (RSD < 1.5%), and sensitivity (LOQs 0.1–0.2 µg/mL for impurities). The sustainability assessment confirms the strong environmental and operational profile of the method. The AGREE evaluation yields a score of 0.78, whereas the GAPI pictogram displays predominantly green fields,confirming the strong alignment of the proposed method with green analytical chemistry principles. Further, the RGB12 model demonstrates favourable scoresof 73.2% (redness), 75.8%(greenness), and 86.7% (blueness) with an integrated whiteness score of 78.3%. These results classify the proposed method as awhite analytical procedure. Conclusion: Collectively, these outcomes confirm that the developed method was not only analytically reliable but also environmentally responsible and economically feasible. Hence, the method was highly suitable for routine impurity profiling and sustainable quality control of elacestrant in pharmaceutical formulations.
B G G KrishnamRaju, Anjali Jha, Nagaveni Shivshetty, and Karteek Rao Amperayani
Elsevier BV
Venkata Sai Suresh Kumar Sista, Anjali Jha, V. L. H. HaranA., and G.V. S. Prasad
Rasayan Journal of Chemistry
This research outlines the development and validation of a reliable analytical method for determining residual solvents—methanol, acetone, dichloromethane (DCM), and toluene—in Sunitinib Cyclamate, a newsalt formof theanticancer drug Sunitinib. This method employs headspace gas chromatography (GC-HS), a precise and efficient technique for analysing volatile organic impurities. Validation followed ICH Q2(R1) guidelines, covering essential parameters such as specificity, accuracy, precision, linearity, range, robustness, ruggedness, and solution stability. The results demonstrated excellent specificity, with no interference from the drug matrix or excipients. Systemsuitability parameters, including resolution and %RSD, consistently satisfied the acceptance limits. The methodshowed high precision (%RSD < 2%), satisfactory recovery (85–115%), and strong linearity (R² ≥ 0.996) across thetested concentration range. Moreover, the procedure-maintained robustness under intentional variations in analytical conditions and showed consistent ruggedness among different analysts and instruments. Overall, the validatedGC- HS method provides a sensitive, accurate, and regulatory-compliant approach for residual solvent determinationinSunitinib Cyclamate, supporting its dependable use in routine quality control and pharmaceutical batch release.
Swarnalatha P., Deepika Divya K., Anjali Jha, Anitha M., S. P. D. Ponamgi, Seema Kumari, and Sujatha Peela
Springer Science and Business Media LLC
Ch Ravi Shankar Kumar, Anjali Jha, Mahima Rabari, and B. Rajesh Kumar
Springer Science and Business Media LLC
Anjali Devi Vasarla, Preeti Nanda Sahu, Anjali Jha, and Anik Sen
Elsevier BV
Anjali Jha, B. Rajesh Kumar, and RaviShankar Kumar Ch
Springer Science and Business Media LLC
Venkata Sai Suresh Kumar Sista, Anjali Jha, Vlnsh Hari Haran A, R. S. K. Sharma, Anindita Chatterjee, G. V. Siva Prasad, K. Satyam Naidu, and D. Ravi Kumar
Rasayan Journal of Chemistry
Lenalidomide is an immunomodulatory drug that plays a significant role in treating hematological conditions, including multiple myeloma and myelodysplastic syndromes. The stability of lenalidomide is crucial for maintaining its safety and effectiveness throughout its shelf life. Environmental factors such as light, heat, moisture, and changes in pH can lead to the degradation of lenalidomide, resulting in harmful impurities that may compromise its therapeutic potency. This research presents a novel approach to studying the stability of lenalidomide under various stress conditions using a High-Performance Liquid Chromatography method. The method is designed to investigate degradation pathways and impurity profiling. It incorporates a dynamic gradient system and optimizes the mobile phase composition to enhance the separation of degradation products with improved precision and reproducibility. The research also integrates green chemistry principles, minimizing the use of harmful solvents and reducing the environmental impact. Forced degradation studies were conducted under various stress conditions, such as ultraviolet light, heat, acidic, alkaline, and oxidative conditions, revealing previously unknown degradation products. The results of these studies offer essential insights into the stability of lenalidomide, providing valuable recommendations for improving formulation and storage conditions. This validated High-Performance Liquid Chromatography method proves to be a reliable, eco-friendly, and efficient tool for routine quality control and stability testing, ensuring the safety and effectiveness of lenalidomide.
Maria Sundari A. C. and Anjali Jha
Wiley
AbstractThe derivatives of benzoxazolone (BOA) have attracted a lot of interest because of their diverse pharmacological potential as therapeutic agents. In this work, we report an environmentally friendly synthetic method based on ultrasonication(US) as well as conventional method to prepare new BOA derivatives (M1–M4). Furthermore, the BOA derivatives were reacted with p‐nitro, p‐chloro, and p‐hydroxy anilines to get Schiff bases compounds (M5–M16). The results demonstrated that, in comparison to traditional approaches, the ultrasonication method had higher reaction kinetics and energy efficiency. Additionally, quantum chemical calculations and molecular docking studies were performed to understand the reaction mechanisms and evaluate the antibacterial potential of the synthesized compounds. The presence of electron‐withdrawing group at the para position of substituted anilines follows the trend ─NO2 > ─Cl > ─OH, leading to higher formation energies of the corresponding products as reflected in the progression of the reactions in the mechanistic studies. Further, the presence of a methyl group in benzoxazolone (BOA) enhances the binding interaction affinity with Escherichia coli, however on the basis of docking scores of nitro group containing (M5, M8, M11, and M14) compounds exhibited stronger interactions with the protein of E. coli, compared to the chlorine and hydroxyl groups. The docking results were also found consistent with in vitro results.
Maria Sundari A.C., Anjali Jha, Karteek Rao Amperayani, and V. Mohan Chand
Elsevier BV
Siva Kumar Gandham, Amit A. Kudale, Tejeswara Rao Allaka, Kalyani Chepuri, and Anjali Jha
Springer Science and Business Media LLC
VR Krishnam Raju and Anjali Jha
Elsevier BV
Siva Kumar Gandham, Anjali Jha, and Amit A. Kudale
Wiley
AbstractIn the present work, we synthesized a small library of 2‐phenylindolizine acetamide derivatives 7a–i and studied their biological activity. The synthesis was accomplished starting with easily available starting material phenacyl bromide 1 proceeding through the key intermediate 6‐methyl‐7‐nitro‐2‐phenylindolizine 4. All the compounds 7a–i were characterized using spectroscopy viz., 1H‐NMR, 13C NMR, FTIR, and mass spectrometry. Interestingly, 2‐phenylindolizine scaffolds 7c, 7f and 7g revealed a remarkable antibacterial activity against relevant organisms S. aureus, E. coli, S. pneumoniae, P. aeruginosa. The target compounds 7e and 7h showed excellent anticancer activity against Colo‐205 and MDA‐MB‐231 cell lines with IC50 values of 68.62, 62.91, 54.23 and 46.34 μM respectively. Additionally, all the 2‐phenylindolizine acetamide derivatives 7a–i were subjected to molecular docking prediction by Autodock 4.2. Compounds 7a, 7f and 7c exhibited very good hydrogen bonding amino acid interactions Asp83 (2.23 Å), Asp83 (2.08 Å), His74 (2.05 Å), His76 (1.71 Å), Ser80 (1.05 Å) with active site of Topoisomerase‐IV from S. pneumoniae (4KPE). Further, the compounds 7a–i have revealed acceptable ranges for drug‐likeliness properties upon evaluation using SwissADME for ADMET and physiochemical properties.
Ch Ravi Shankar Kumar, M Prasanti, Anjali Jha, and B Rajesh Kumar
IOP Publishing
Abstract Organic molecules have a profound impact on present-day technologies due to their structure, molecular interactions, ease of modification, and synthesis. The motivation of the present study is to synthesize a dielectric material at room temperature to accurately determine the optical properties the refractive index and dielectric constant and validate it using a computational method. Organic Schiff base compounds are synthesized in equimolar ratios with the host molecule Biphenyl-4-carboxaldehyde and guest molecules a family of distinct anilines using ultrasonication method. The advantages of this method over other conventional methods are a shorter reaction time, lower operating temperature, and easy work up with fewer amounts of solvents. Molecular aspects of synthesized Schiff bases were established by spectroscopic techniques i.e., IR, proton NMR and powdered x-ray diffraction methods showed that these results are consistent with the expected structure. Optical properties the refractive index and dielectric constant were recorded with a spectroscopic ellipsometer. Studies of computational methods provided optimized molecular structures with minimum energy with wavenumbers in agreement with recorded spectra. Quantum mechanical descriptors provide information on electronic and optical properties and help to visualize the corresponding changes in electron density using the Gaussian 16 package. The results of spectroscopic studies are in agreement with computed studies indicating that synthesized Schiff bases are active dielectric materials with major role of nitro compounds best suitable for optical and electronic properties with increased dielectric constant, refractive index and reduced energy.
Siva Kumar Gandham, Amit A. Kudale, Tejeswara Rao Allaka, Kalyani Chepuri, and Anjali Jha
Elsevier BV
Venkata Rama Krishnam Raju Datla and Anjali Jha
Bentham Science Publishers Ltd.
Introduction: Many medicinally active new chemical entities depend on indole conjugated chromeno[d]pyrimidine derivatives as a building block. The synthesis of 4-(1H-indol-3-yl)-3,4- dihydro-1H-chromeno[4,3-d]pyrimidine-2,5-dione 4 were achieved in the current study by treating 4- hydroxy-2H-chromen-2-one 1, indole aldehydes 2, and urea/thiourea 3 in the presence of L-proline. Methods: By adopting the above protocol, we were able to synthesize eight compounds, i.e. 4-(1Hindol- 3-yl)-3,4-dihydro-1H-chromeno[4,3-d]pyrimidine-2,5-diones (4a-4h), in the presence of Lproline as a catalyst in ethanol as solvent for 2-3 hours at 70-75°C with decent yields of 80-85%, and their structures were ascertained by various spectral techniques. They were further screened for their potentiality to inhibit cancer growth in HepG2 and MDA-MD-231 cells. Results: The scope of the synthesis of biological relevant Indole conjugated Chromeno[ d]Pyrimidines by three-component reaction (MCRs) process was investigated. The most optimised conditions obtained were 0.3 eq of L-proline for 2 hours at 70-75°C which gave the best yield (85%). The few advantages of this newly developed method are excellent yields, no metal catalyst, less toxic solvents, simple workup no chromatographic column purifications. On further screening for their anticancer activities, out of all, the compound 4b displayed noteworthy cytotoxicity with IC50 values of 8.1 and 9.2 μM against HepG2 and MDA-MD-231, respectively. Additionally, in silico studies also supported that compound 4b had favourable binding energy (-7.8 kcal/mol) when compared to the co-crystal ligand (LS5) in inhibiting the human cyclin-dependent kinase 2 (CDK2) protein. Conclusion: In conclusion, we have developed a simple, convenient, and efficient method for the synthesis of structurally diverse indole conjugated chromeno[d]pyrimidine analogues in the presence of L-proline as catalyst in ethanol as solvent with good yields. Further, the in vitro cytotoxic studies against HepG2 and MDA-MD-231 cells demonstrated that the synthesized compounds had good to reasonable activity, except for compound 4d.
V. R. Krishnam Raju and A. Jha
Pleiades Publishing Ltd
Anugata Lima, Brinda Goda Lakshmi Didugu, Alekhya Rani Chunduri, Resma Rajan, Anjali Jha, and Anitha Mamillapalli
Springer Science and Business Media LLC
Ch. Ravi Shankar Kumar Kumar, M. Prasanti, and A. Jha
Asian Journal of Chemistry
Dynamics of molecular structures has its dependence on symmetry, topological defects, responsibility to shear, short range interatomic forces, interplay of thermal and potential energies in formation of supramolecular structures with mesophase. Computational studies emerged as sophisticated tool that deliver the functional aspects responsible in formation of these molecular structures. The article attempts induced textures and phase transition studies of synthesized compound from anilines and aldehydes. Infrared spectral studies infer shits in wavenumbers in formation of secondary aldemines with anilines and aldehydes. Polarizing optical microscope and differential scanning calorimetric studies were performed for observation of textures and confirmation of transition temperatures. Computational studies were performed for these compounds responsible for induced phases using 6-311++(d,p) with quantum mechanical descriptors. Studies revealed that reduced energy gap and high dipole moment is consequence of change in order of transition in synthesized compound responsible for induced phase.
T. Atchuta Ramarao, Anjali Jha, and Anik Sen
Wiley
Siva Kumar Gandham, Amit A. Kudale, Tejeswara Rao Allaka, and Anjali Jha
Wiley
V. R. Krishnam Raju and Anjali Jha
Informa UK Limited
Posaconazole is a triazole-based fluorinated antifungal drug (Figure 1), approved by the US FDA in 2006 and sold under the brand names Noxafil and Posanol. As with any pharmacologically active ingredient, chemical impurities are a concern in bulk preparations of Posaconazole, and some of these impurities have been synthesized and characterized. Posaconazole exhibits activity against Candida species, Cryptococcus species, endemic mycoses (such as Coccidioides immitis, Histoplasma capsulatum, and Blastomyces dermatiditis), and Aspergillus species. Posaconazole is also used in transplantation complications. There are several literature reports of bulk syntheses of Posaconazole, but in all cases impurities have been observed. One of the typical literature reports indicates that Posaconazole can be synthesized by using 4-(4-(4-aminophenyl)piperazin-1-yl)phenol (KSM-1, Scheme 1) as a starting material. Our main objective is to reduce the impurities, improve the yield and reduce the cost of the preparation of Posaconazole. We have thus focused on the purity and synthetic route shown in Scheme 1, which is an improvement on a previous method. We protected KSM-1 by reaction with phenyl chloroformate, using sodium bicarbonate in dimethylformamide (DMF), to form Compound A (82%). In the second step Compound A was coupled with the hydrazide KSM-2 in the presence of triethylamine at 100 C to yield Compound B (78%). In the third step C-O bond formation occurred between Compound B and KSM-3 in dimethyl sulfoxide (DMSO) and aqueous sodium hydroxide at 45 C to yield Compound C (91%). The final step is debenzylation, using formic acid to afford Posaconazole in 84% yield (HPLC purity 99.66%). Summing up, we have described an improved bulk preparation of Posaconazole in very good yield and excellent purity. Notably, our method avoids the use of palladium on carbon for the debenzylation step. This lowers risks and costs and obviates the need to remove any palladium from the final product. We hope that our new preparation will lend itself well to the production of this important medication.
Marla Prasanti, Anjali Jha, and Ch. Ravi Shankar Kumar
Trans Tech Publications, Ltd.
Characterization of materials infer for physical and chemical properties that depend on its molecular structure. Structure of molecule has its dependence on respective electrons of molecule under consideration occupying their positions that correspond to changes in density of electrons. Many theories of its kind were developed to study density of electrons with roots from wavefunction method and electron density method. Wavefunction method has its dependence with linear combination of atomic orbitals, Born approximation, variational principle ,potential energy surfaces for development of Huckel theory, Hartree fock self-consistent theory. Electron density method includes Ab-intio method and density functional theory is possible with Kohenberbg-Kohn existence theorem and Kohn Sham formalism. Density functional studies has diverted attention of researches for properties dependent on structure with use of quantum mechanical descriptors that influence chemical reactivity of molecule forming complexes with properties responsible for electrooptical activity. In the present work complexes with p-anisaldehyde were studied with set of anilines using Gaussian 16 package with B3LYP method. Studies in present work were analyzed from computed infrared spectra responsible for formation of complexes with shifts in wavenumbers; quantum mechanical descriptors for electronic properties. A feature of study is that complexes with p-nitroaniline have greater tendency influence on electronic properties responsible for electrooptical activity due to electrophilic nature.
P. P. Raoa, Shaik Nowshuddina, Anjali Jhab, Leela Maheswara Raoa, Murali K Divia and M. N. Raoa
CSIR-National Institute of Science Communication and Policy Research (NIScPR)
Bis-morpholinophosphorylchloride (bmpc) has been identified as a new reagent to efficiently convert aldoxime into nitriles through dehydrogenation and ketoximes into amides through Beckmann rearrangement. When compared to other chlorophosphate reagents used earlier, which are liquids and irritating, bmpc is a non-irritating stable solid. In all the reactions, products are obtained in high yields and purity.
Vishnu Nayak Badavath, Akhil Kumar, Pralok K. Samanta, Siddhartha Maji, Anik Das, Galia Blum, Anjali Jha, and Anik Sen
Informa UK Limited
Abstract SARS-COV-2, the novel coronavirus and root of global pandemic COVID-19 caused a severe health threat throughout the world. Lack of specific treatments raised an effort to find potential inhibitors for the viral proteins. The recently invented crystal structure of SARS-CoV-2 main protease (Mpro) and its key role in viral replication; non-resemblance to any human protease makes it a perfect target for inhibitor research. This article reports a computer-aided drug design (CADD) approach for the screening of 118 compounds with 16 distinct heterocyclic moieties in comparison with 5 natural products and 7 repurposed drugs. Molecular docking analysis against Mpro protein were performed finding isatin linked with a oxidiazoles (A2 and A4) derivatives to have the best docking scores of −11.22 kcal/mol and −11.15 kcal/mol respectively. Structure-activity relationship studies showed a good comparison with a known active Mpro inhibitor and repurposed drug ebselen with an IC50 value of −0.67 μM. Molecular Dynamics (MD) simulations for 50 ns were performed for A2 and A4 supporting the stability of the two compounds within the binding pocket, largely at the S1, S2 and S4 domains with high binding energy suggesting their suitability as potential inhibitors of Mpro for SARS-CoV-2. Communicated by Ramaswamy H. Sarma