Papers by Estari Mamidala
Saudi J Kidney Dis Transpl, 2023
Diabetic renal injury is a microvascular complication associated with inflammation and oxidative ... more Diabetic renal injury is a microvascular complication associated with inflammation and oxidative stress, culminating in renal dysfunction. Conventionally, it is treated with hypoglycemic agents to address metabolic perturbations. However, the way to mitigate immunological,
inflammation, and oxidative stress have seldom been studied. Hence, in the present study, the nephroprotective role of immunosuppressive and anti-inflammatory drugs, mycophenolate mofetil (MMF) in combination with the oral hypoglycemic agent glibenclamide, on streptozotocin (STZ)-induced diabetic renal damage was studied. Bodyweight, fasting blood glucose, and glycosylated hemoglobin levels were altered in the diabetic rats. Furthermore, renal injury was indicated by abnormal levels of urinary protein and creatinine and serum markers of renal function in diabetic
rats. Hyperglycemia-induced oxidative stress and inflammation were also observed in the diabetic rats. The combination of MMF and glibenclamide treatment significantly attenuated the abnormal effects of hyperglycemia, oxidative stress, and inflammation-induced renal injury in diabetic rats.
Histopathological studies confirmed the nephroprotective role of MMF and glibenclamide by reversing renal injury in diabetic rats. The present study suggests that MMF and glibenclamide have a protective role in STZ-induced diabetic renal damage.
CAHIERS MAGELLANES-NS, 2024
The molecular docking interactions between HIV-1 reverse transcriptase (RT) and two novel compoun... more The molecular docking interactions between HIV-1 reverse transcriptase (RT) and two novel compounds, Compound-1 (C-1) and Compound-2 (C-2) of Withania somnifera, were investigated to assess their potential as inhibitors of the enzyme. Compared to the standard drug Efavirenz, both C-1 and C-2 exhibited superior binding attributes. C-2 displayed a notably lower binding energy of -7.45 kcal/mol, indicating a stronger binding potential. It formed six hydrogen bonds, double the amount
established by Efavirenz, highlighting the enhanced stability and specificity of the C-2-HIV-1 RT interaction. Furthermore, C-2's interactions with a broader range of hydrophobic amino acids underscored its potential superiority in forming a stable and specific binding complex. Similarly, C-1 exhibited a lower binding energy of -6.69 kcal/mol and formed five hydrogen bonds, in contrast to Efavirenz's two, suggesting a more intricate and stable binding pattern. This enhanced interaction was
further emphasized by C-1's engagement in hydrophobic interactions with specific amino acids. The findings collectively indicate that both C-1 and C-2 possess superior molecular docking attributes compared to the standard drug, highlighting their potential as promising inhibitors of HIV-1 RT. These results support the further investigation and development of these compounds as potential anti-HIV agents to advance treatment options for HIV/AIDS
CAHIERS MAGELLANES-NS, 2024
This study validates and expands upon previous findings regarding two novel compounds isolated fr... more This study validates and expands upon previous findings regarding two novel compounds isolated from Withania somnifera, emphasizing their potential therapeutic applications. The significance of this work lies in its comprehensive in silico toxicity analysis, which assesses the safety and efficacy of these compounds. Using ACD/ChemSketch and OpenBabel software, the chemical structures of the compounds were prepared and converted into SMILES format for further analysis. The PASS prediction software indicated that Compound 1 exhibits significant biological activities, including strong potential as a growth hormone agonist and antineoplastic agent, while Compound 2 also shows promising activity as an antineoplastic and CYP3A substrate. Drug-likeness assessments using SwissADME revealed that both compounds conform to multiple drug-likeness rules, with Compound 1 demonstrating slightly better properties than Compound 2. Furthermore, ADMET analysis indicated favorable pharmacokinetic profiles for both compounds, with distinct advantages in absorption and distribution characteristics. These findings suggest that both compounds possess significant therapeutic potential, warranting further investigation for their development as drug candidates.
CAHIERS MAGELLANES-NS, 2024
This study investigates the antibacterial efficacy of the novel compound 4-(2-hydroxypropan-2-yl)... more This study investigates the antibacterial efficacy of the novel compound 4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-ol compared to the standard antibiotic ampicillin. The Calotropis procera root extract was prepared with using different solvents and thin layer chromatography (TLC) was used for isolation and 1H NMR, 13C NMR, Mass spectral studies are used for characterization of isolated compound for subsequent antibacterial testing. Using standard agar diffusion methods, the compound
was tested for antibacterial activity against Staphylococcus aureus, Streptococcus pneumoniae, Pseudomonas aeruginosa, and Escherichia coli. The zone of inhibition values for the novel compound were 4 mm against Staphylococcus aureus, 4 mm against Escherichia coli, and 5 mm against Pseudomonas aeruginosa, indicating superior antibacterial activity compared to ampicillin. Given the rising antibiotic resistance, the effectiveness of 4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-ol against
these pathogens underscores its potential as a therapeutic candidate. Further studies are necessary to elucidate its mechanism of action, pharmacokinetics, and in vivo efficacy, which will be crucial for evaluating its suitability in clinical applications. Overall, this research contributes to the ongoing search for new antibacterial agents capable of combating resistant bacterial strains, emphasizing the need for continued exploration of novel compounds in the fight against infectious diseases.
Yugato, 2024
Traditional healers in Telangana, known as 'Vaidyas' or 'OushadhiVaids', possess extensive knowle... more Traditional healers in Telangana, known as 'Vaidyas' or 'OushadhiVaids', possess extensive knowledge of local medicinal plants. This study aims to document the ethnobotanical knowledge of traditional healers in Telangana, focusing on medicinal plant usage.An ethnobotanical survey was conducted in Singareni, Thallada, and Nelakondapalli mandals of Khammam district. Data was collected through interviews using a standardized questionnaire to gather information on plant species, their uses, preparation methods, and ailments treated. The medicinal plants in Telangana
exhibit a diverse range of uses, with leaves (34.78%) and roots (30.43%) being the most commonly utilized parts. The survey identified a diverse range of medicinal plants used by traditional healers, emphasizing their roles in treating various health conditions such as arthritis, diabetes, and skin disorders. The findings underscore the significance of traditional knowledge in Telangana's healthcare system and advocate for the preservation and integration of medicinal plants into modern healthcare practices.
Yugato, 2024
The emergence of drug-resistant strains of HIV-1 underscores the need for novel therapeutic agent... more The emergence of drug-resistant strains of HIV-1 underscores the need for novel therapeutic agents with improved efficacy and safety profiles. Therefore, this study aims to assess the in vitro HIV-1 RT inhibition of active molecule isolated form W. somnifera. Crude extract was prepared from W. sominfera stem bark my using methanol solvent. Isolation and Purification was done using TLC, column chromatography techniques. Characterization of isolated compound was done with using spectral studies. HIV-1 RT inhibition of isolated compound was done. Cell viability against PBMC cells of isolated compound was performed with MTT assay. The compound exhibited a dosedependent inhibition of HIV-1 RT activity, with increasing percentages of inhibition observed at higher concentrations. At 50 µg/mL, Compound displayed a 31.5% inhibition, which progressively increased to 76.4% at 800 µg/mL. The IC50 value for Compound was determined to be 152 µg/mL, indicating the concentration at which 50% inhibition of HIV-1 RT activity is achieved. The isolated compound exhibited decreasing cell viability as the concentration increased, with values of 91%,
Yugato, 2024
Withaniasomnifera, a well-known traditional medicinal plant, has garnered significant attention f... more Withaniasomnifera, a well-known traditional medicinal plant, has garnered significant attention for its potential therapeutic applications. This study aims to investigate the binding interactions between selected Withania-derived phytochemicals and the CCR5 chemokine receptor, a crucial co-receptor for HIV-1 viral entry, through molecular docking simulations.The 3D crystal structure of the CCR5 receptor (PDB: 4MBS) was obtained, and the AutoDock 4.2.6 software was used for the molecular docking experiments. Two Withania compounds, 4-deoxywithaperuvin and 14-alpha,17-betadihydroxy-withanolide, were selected based on literature review and docked against the CCR5 receptor, along with the standard drug maraviroc.The docking results revealed that the Withaniaderived compounds exhibited favorable binding interactions with the CCR5 receptor, with binding energies comparable to or better than the standard drug. The in-silico analysis provided insights into the key residues and binding modes involved in the ligand-receptor interactions.This study suggests the potential of Withania-derived phytochemicals as promising lead compounds for the development of CCR5-targeted therapeutics against HIV-1 infection. Further experimental validation is warranted to corroborate these computational findings.
Zenodo (CERN European Organization for Nuclear Research), Dec 28, 2019
Zenodo (CERN European Organization for Nuclear Research), Mar 7, 2023
Paramphistomiasis or Amphistomiasis is a neglected tropical disease, caused by Paramphistomum spe... more Paramphistomiasis or Amphistomiasis is a neglected tropical disease, caused by Paramphistomum species in livestock ruminants and wild mammals. Its symptoms include profuse diarrhea, anemia, and lethargy, and often result in death if untreated. It causes significant economic loss in livestock production, as it can reduce feed efficiency, increase weight, and affect milk production. The life cycle of a parasite is indirect, requiring a definitive host such as ruminants, and an intermediate host such as snails. To treat this disease, a wide range of Anthelmintic drugs with different types of mechanisms of action are available, among which Praziquantel (Biltricide, Droncit) is one of them. Understanding the mechanism of action of a drug on parasites gives better scope for the development of a wide range of effective drugs. Several drug target action sites are identified in parasites among which acetylcholine esterase (Ache) is one of them. It plays a crucial role in the regulation of nerve impulses by breaking down the neurotransmitter acetylcholine into acetic acid and choline in the synaptic cleft. In the current paper Praziquantel mode of action on Ache activity in Paramphistomum epiclitum is studied. the biochemical assay of Ache is estimated to be in control and treated with parasites at various drug concentrations over 1-hour long exposure. It has been observed that the drug significantly inhibits Ache activity by 4 ppm.
Molecular Docking Analysis of Flavonoid Compounds with C. igneus for the Identification of Potential Effective α-amylase Inhibitors, 2022
Introduction:Diabetes mellitus is a group of metabolic disease characterized by hyperglycemia res... more Introduction:Diabetes mellitus is a group of metabolic disease characterized by hyperglycemia resulting from fault in insulin secretion, insulin action or both. most effective treatment for type 2 diabetes is the control of postprandial hyperglycemia after a meal. stabilization of blood glucose is necessary for diabetic patients, because it prevents hyperglycemia and the complexity associated with diabetes. Objective: The objective of this study is to evaluate the in silico activities of Costus igneusflavonoids on α-amylase. Methods: Human Pancreatic Alpha-Amylase (PDB ID-4GQR) was retrieved. The chemical structures of 1-Ethoxy-1-propene, 2-Pentadecanone, Epicatechin, Pentatriacontane, Squalene, and Undecanal flavonoids were retrieved from PubChem and ChemSpider database for molecular docking. The docking analysis of ligand with Human Pancreatic Alpha-Amylase was carried by autodock software using default parameters. The values were obtained in terms of energy (e-value) Kcal/mol. Results:Squalene, a flavonoid compound present in Costus igneus has good docking activity with the least e-value of-7.22 kcal/mol and the residues ASN:
Teaching Documents by Estari Mamidala
National Workshop, 2019
The computational techniques in drug discovery have drastically reduced the time and cost involve... more The computational techniques in drug discovery have drastically reduced the time and cost involved in drug development. The in-silico techniques have enhanced the understanding of molecular properties and the specific behavior of drug-receptor interaction at the molecular level. Hence, it is necessary to develop these skills and expertise in modern and sophisticated tools related to drug discovery. The objective of this workshop is to orient the participant to the basic knowledge of drug design and provide hands-on training on Molecular Docking.
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Papers by Estari Mamidala
inflammation, and oxidative stress have seldom been studied. Hence, in the present study, the nephroprotective role of immunosuppressive and anti-inflammatory drugs, mycophenolate mofetil (MMF) in combination with the oral hypoglycemic agent glibenclamide, on streptozotocin (STZ)-induced diabetic renal damage was studied. Bodyweight, fasting blood glucose, and glycosylated hemoglobin levels were altered in the diabetic rats. Furthermore, renal injury was indicated by abnormal levels of urinary protein and creatinine and serum markers of renal function in diabetic
rats. Hyperglycemia-induced oxidative stress and inflammation were also observed in the diabetic rats. The combination of MMF and glibenclamide treatment significantly attenuated the abnormal effects of hyperglycemia, oxidative stress, and inflammation-induced renal injury in diabetic rats.
Histopathological studies confirmed the nephroprotective role of MMF and glibenclamide by reversing renal injury in diabetic rats. The present study suggests that MMF and glibenclamide have a protective role in STZ-induced diabetic renal damage.
established by Efavirenz, highlighting the enhanced stability and specificity of the C-2-HIV-1 RT interaction. Furthermore, C-2's interactions with a broader range of hydrophobic amino acids underscored its potential superiority in forming a stable and specific binding complex. Similarly, C-1 exhibited a lower binding energy of -6.69 kcal/mol and formed five hydrogen bonds, in contrast to Efavirenz's two, suggesting a more intricate and stable binding pattern. This enhanced interaction was
further emphasized by C-1's engagement in hydrophobic interactions with specific amino acids. The findings collectively indicate that both C-1 and C-2 possess superior molecular docking attributes compared to the standard drug, highlighting their potential as promising inhibitors of HIV-1 RT. These results support the further investigation and development of these compounds as potential anti-HIV agents to advance treatment options for HIV/AIDS
was tested for antibacterial activity against Staphylococcus aureus, Streptococcus pneumoniae, Pseudomonas aeruginosa, and Escherichia coli. The zone of inhibition values for the novel compound were 4 mm against Staphylococcus aureus, 4 mm against Escherichia coli, and 5 mm against Pseudomonas aeruginosa, indicating superior antibacterial activity compared to ampicillin. Given the rising antibiotic resistance, the effectiveness of 4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-ol against
these pathogens underscores its potential as a therapeutic candidate. Further studies are necessary to elucidate its mechanism of action, pharmacokinetics, and in vivo efficacy, which will be crucial for evaluating its suitability in clinical applications. Overall, this research contributes to the ongoing search for new antibacterial agents capable of combating resistant bacterial strains, emphasizing the need for continued exploration of novel compounds in the fight against infectious diseases.
exhibit a diverse range of uses, with leaves (34.78%) and roots (30.43%) being the most commonly utilized parts. The survey identified a diverse range of medicinal plants used by traditional healers, emphasizing their roles in treating various health conditions such as arthritis, diabetes, and skin disorders. The findings underscore the significance of traditional knowledge in Telangana's healthcare system and advocate for the preservation and integration of medicinal plants into modern healthcare practices.
Teaching Documents by Estari Mamidala
inflammation, and oxidative stress have seldom been studied. Hence, in the present study, the nephroprotective role of immunosuppressive and anti-inflammatory drugs, mycophenolate mofetil (MMF) in combination with the oral hypoglycemic agent glibenclamide, on streptozotocin (STZ)-induced diabetic renal damage was studied. Bodyweight, fasting blood glucose, and glycosylated hemoglobin levels were altered in the diabetic rats. Furthermore, renal injury was indicated by abnormal levels of urinary protein and creatinine and serum markers of renal function in diabetic
rats. Hyperglycemia-induced oxidative stress and inflammation were also observed in the diabetic rats. The combination of MMF and glibenclamide treatment significantly attenuated the abnormal effects of hyperglycemia, oxidative stress, and inflammation-induced renal injury in diabetic rats.
Histopathological studies confirmed the nephroprotective role of MMF and glibenclamide by reversing renal injury in diabetic rats. The present study suggests that MMF and glibenclamide have a protective role in STZ-induced diabetic renal damage.
established by Efavirenz, highlighting the enhanced stability and specificity of the C-2-HIV-1 RT interaction. Furthermore, C-2's interactions with a broader range of hydrophobic amino acids underscored its potential superiority in forming a stable and specific binding complex. Similarly, C-1 exhibited a lower binding energy of -6.69 kcal/mol and formed five hydrogen bonds, in contrast to Efavirenz's two, suggesting a more intricate and stable binding pattern. This enhanced interaction was
further emphasized by C-1's engagement in hydrophobic interactions with specific amino acids. The findings collectively indicate that both C-1 and C-2 possess superior molecular docking attributes compared to the standard drug, highlighting their potential as promising inhibitors of HIV-1 RT. These results support the further investigation and development of these compounds as potential anti-HIV agents to advance treatment options for HIV/AIDS
was tested for antibacterial activity against Staphylococcus aureus, Streptococcus pneumoniae, Pseudomonas aeruginosa, and Escherichia coli. The zone of inhibition values for the novel compound were 4 mm against Staphylococcus aureus, 4 mm against Escherichia coli, and 5 mm against Pseudomonas aeruginosa, indicating superior antibacterial activity compared to ampicillin. Given the rising antibiotic resistance, the effectiveness of 4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-ol against
these pathogens underscores its potential as a therapeutic candidate. Further studies are necessary to elucidate its mechanism of action, pharmacokinetics, and in vivo efficacy, which will be crucial for evaluating its suitability in clinical applications. Overall, this research contributes to the ongoing search for new antibacterial agents capable of combating resistant bacterial strains, emphasizing the need for continued exploration of novel compounds in the fight against infectious diseases.
exhibit a diverse range of uses, with leaves (34.78%) and roots (30.43%) being the most commonly utilized parts. The survey identified a diverse range of medicinal plants used by traditional healers, emphasizing their roles in treating various health conditions such as arthritis, diabetes, and skin disorders. The findings underscore the significance of traditional knowledge in Telangana's healthcare system and advocate for the preservation and integration of medicinal plants into modern healthcare practices.