Search Results - "Pillai, Girinath G."

Design and discovery of novel monastrol-1,3,5-triazines as potent anti-breast cancer agent via attenuating Epidermal Growth Factor Receptor tyrosine kinase by Srivastava, Jitendra Kumar, Pillai, Girinath G., Bhat, Hans Raj, Verma, Amita, Singh, Udaya Pratap

“…A novel series of hybrid analogues of monastrol-1,3,5-triazine were designed and developed via one-pot synthesis using Bi(NO 3 ) 3 as a catalyst. Entire…”
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In silico machine learning methods in drug development by Dobchev, Dimitar A, Pillai, Girinath G, Karelson, Mati

“…Machine learning (ML) computational methods for predicting compounds with pharmacological activity, specific pharmacodynamic and ADMET (absorption,…”
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In-silico driven design and development of spirobenzimidazo-quinazolines as potential DNA gyrase inhibitors by Korrapati, Suresh Babu, Yedla, Poornachandra, Pillai, Girinath G., Mohammad, Faruq, Ch, Venkata Ramana Reddy, Bhamidipati, Pranav, Amanchy, Ramars, Syed, Riyaz, Kamal, Ahmed

“…[Display omitted] •A new approach using computational prediction of binding sites & modelling studies, spirobenzimidazo analogues were developed.•Green…”
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Design, Synthesis, and Molecular Docking Studies of Curcumin Hybrid Conjugates as Potential Therapeutics for Breast Cancer by Panda, Siva S, Tran, Queen L, Rajpurohit, Pragya, Pillai, Girinath G, Thomas, Sean J, Bridges, Allison E, Capito, Jason E, Thangaraju, Muthusamy, Lokeshwar, Bal L

“…Curcumin (CUR) has received great attention over the past two decades due to its anticancer, anti-inflammatory, and antioxidant properties. Similarly,…”
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Promising Aedes aegypti Repellent Chemotypes Identified through Integrated QSAR, Virtual Screening, Synthesis, and Bioassay by Oliferenko, Polina V, Oliferenko, Alexander A, Poda, Gennadiy I, Osolodkin, Dmitry I, Pillai, Girinath G, Bernier, Ulrich R, Tsikolia, Maia, Agramonte, Natasha M, Clark, Gary G, Linthicum, Kenneth J, Katritzky, Alan R, Oliveira, Pedro Lagerblad

“…Molecular field topology analysis, scaffold hopping, and molecular docking were used as complementary computational tools for the design of repellents for…”
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Synergistic Effects of Limosilactobacillus fermentum ASBT-2 with Oxyresveratrol Isolated from Coconut Shell Waste by Prakash, Vidhya, Krishnan, Akshaya S, Ramesh, Reshma, Bose, Chinchu, Pillai, Girinath G., Nair, Bipin G., Pal, Sanjay

“…Value-added phytochemicals from food by-products and waste materials have gained much interest and among them, dietary polyphenolic compounds with potential…”
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Identification of potential phytochemical inhibitors for the proven six chronic obstructive pulmonary disease biomarkers - A molecular dynamics study by Dhamodharan, Pavithra, Pillai, Girinath G., Arumugam, Mohanapriya

“…COPD is a multifactorial lung disease causing breathing difficulties in individuals and is becoming a major health concern worldwide. The unclear pathogenic…”
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Robust Modeling and Scaffold Hopping: Case Study Based on HIV Reverse Transcriptase Inhibitors Type-1 Data by Pillai, Girinath G, Mederos, Laznier, Panda, Chandramukhi S, Gronski, Amber, Burk, Peeter, Hall, Charles D, Katritzky, Alan R, Tämm, Kaido, Karelson, Mati

“…Human immunodeficiency virus type 1 (HIV-1) is the causative agent of AIDS occurs across mucosal surfaces or by direct inoculation. The objective of this study…”
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Expansion of Phosphane Treasure Box for Staudinger Peptide Ligation by Bajaj, Kiran, Pillai, Girinath G, Sakhuja, Rajeev, Kumar, Dalip

“…A smooth traceless ligation strategy using an air-stable phosphane probe (2-(diphenylphosphanyl)­phenyl)­methanol as a C-terminus activator has been…”
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Biological processes and key druggable targets involved in age-associated memory loss: A systematic review by Unni, P. Ambili, Pillai, Girinath G., Sajithalulu, S.

“…Age-associated memory loss is highly prevalent in the elder population. The inception of neurodegenerative diseases acts as a causative factor for the onset of…”
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Traceless reductive ligation at a tryptophan site: a facile access to β-hydroxytryptophan appended peptides by Bajaj, Kiran, Sakhuja, Rajeev, Pillai, Girinath G

“…An efficient methodology for cysteine-free ligation at a tryptophan (Trp) site is described. A chemically active scaffold, β-hydroxy-α-azidotryptophan, has…”
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Review on druggable targets of key age‐associated properties regulated by therapeutic agents by Unni P, Ambili, Sudhakaran, Sajitha Lulu, Pillai, Girinath G.

“…Aging is a biological process which accounts for the deterioration of effective physiological functions. The malfunctioning of vital organ systems leads to the…”
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Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity by Mary, Y. Sheena, Mary, Y. Shyma, Thomas, Renjith, Narayana, B., Samshuddin, S., Sarojini, B. K., Armaković, Stevan, Armaković, Sanja J., Pillai, Girinath G.

“…Theoretical calculations at the B3LYP/CC-pVDZ level were used to find the IR, Raman, VCD, and various molecular properties of a terphenyl derivative…”
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Similarity analysis, synthesis, and bioassay of antibacterial cyclic peptidomimetics by Berhanu, Workalemahu M, Ibrahim, Mohamed A, Pillai, Girinath G, Oliferenko, Alexander A, Khelashvili, Levan, Jabeen, Farukh, Mirza, Bushra, Ansari, Farzana Latif, Ul-Haq, Ihsan, El-Feky, Said A, Katritzky, Alan R

“…The chemical similarity of antibacterial cyclic peptides and peptidomimetics was studied in order to identify new promising cyclic scaffolds. A large…”
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Theoretical modeling of HPV: QSAR and novodesign with fragment approach by Pillai, Girinath G, Sikk, Lauri, Tamm, Tarmo, Karelson, Mati, Burk, Peeter, Tämm, Kaido

“…Structure-activity relationships in a data set of HPV6-E1 helicase ATPase inhibitors were investigated based on two different sets of descriptors…”
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Computational strategies towards developing novel antimelanogenic agents by Unni, P. Ambili, Lulu, S. Sajitha, Pillai, Girinath G.

“…Extrinsic ageing or photoageing relates to the onset of age-linked phenotypes such as skin hyperpigmentation due to UV exposure. UV induced upregulated…”
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Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by Molecular Field Topology Analysis by Jabeen, Farukh, Oliferenko, Polina V., Oliferenko, Alexander A., Pillai, Girinath G., Ansari, Farzana Latif, Hall, C. Dennis, Katritzky, Alan R.

“…A striking dual inhibition of enzymes α-glucosidase and butyrylcholinesterase by small drug-like molecules, including 1,4-disubstituted-1,2,3-triazoles,…”
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Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids by Girgis, Adel S, Panda, Siva S, Farag, I S Ahmed, El-Shabiny, A M, Moustafa, A M, Ismail, Nasser S M, Pillai, Girinath G, Panda, Chandramukhi S, Hall, C Dennis, Katritzky, Alan R

“…QSAR study describes the anti-neoplastic spiro-alkaloids with relevant molecular descriptors using CODESSA III software. The…”
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Macrocyclic peptidomimetics with antimicrobial activity: synthesis, bioassay, and molecular modeling studies by Ibrahim, Mohamed A, Panda, Siva S, Oliferenko, Alexander A, Oliferenko, Polina V, Girgis, Adel S, Elagawany, Mohamed, Küçükbay, F Zehra, Panda, Chandramukhi S, Pillai, Girinath G, Samir, Ahmed, Tämm, Kaido, Hall, C Dennis, Katritzky, Alan R

“…Novel, cyclic peptidomimetics were synthesized by facile acylation reactions using benzotriazole chemistry. Microbiological testing of the synthesized…”
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Long-Range Chemical Ligation from N→N Acyl Migrations in Tryptophan Peptides via Cyclic Transition States of 10- to 18-Members by Biswas, Suvendu, Kayaleh, Roger, Pillai, Girinath G., Seon, Christopher, Roberts, Ian, Popov, Vadim, Alamry, Khalid A., Katritzky, Alan R.

“…Chemical ligations to form native peptides from N→N acyl migrations in Trp‐containing peptides via 10‐ to 18‐membered cyclic transition states are described…”
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