Article
Chemistry, Medicinal
Prajwal Dhokne, Akash P. Sakla, Nagula Shankaraiah
Summary: Small-molecule kinase inhibitors are being explored as promising anticancer therapeutics due to the deregulation of kinases in cancerous tissues. Oxindole motifs have shown significant inhibitory activity against multiple kinases, making them privileged scaffolds for development. Recent advances in oxindole-based kinase inhibitors, including their structural frameworks, design strategies, and mechanism of action have been summarized in this review.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Chemistry, Medicinal
Ramya Tokala, Darshana Bora, Nagula Shankaraiah
Summary: Knoevenagel condensation is a green synthesis method for generating alpha, beta-unsaturated ketones/carboxylic acids using carbonyl functionalities and active methylenes. It has been widely used in multicomponent reactions and plays a significant role in the development of drug molecules. Furthermore, the products of Knoevenagel condensation have shown potential in anticancer therapy, targeting various cancer proteins.
Review
Chemistry, Medicinal
Xing-Jie Dai, Lei-Peng Xue, Shi-Kun Ji, Ying Zhou, Ya Gao, Yi-Chao Zheng, Hui-Min Liu, Hong-Min Liu
Summary: In recent years, triazole-fused pyrimidines, a widely-used class of heterocycles in medicinal chemistry, have shown potential as anticancer agents that target various cancer-associated targets. This review focuses on the latest advancements in triazole-pyrimidines as target-based anticancer agents, published between 2007 and 2022. The review also discusses the structure-activity relationships (SARs) and multiple pathways to facilitate the development of more effective and biotargeted anticancer candidates.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Review
Pharmacology & Pharmacy
Puhua Wu, Yan Zhou, Yizhen Guo, Shao-Lin Zhang, Kin Yip Tam
Summary: MCTs play a crucial role in lactate/proton efflux and may serve as a new target for anticancer therapies. While X-ray co-crystal structures of human MCTs with inhibitors are unavailable, homology models have aided in the design of new MCT inhibitors. Future directions include studying the structures and functions of MCT inhibitors and discovering more small-molecule inhibitors.
DRUG DISCOVERY TODAY
(2021)
Article
Chemistry, Multidisciplinary
Jaydeep A. Mokariya, Reena C. Patel, Dhanji P. Rajani, Manish P. Patel
Summary: A series of indole-oxindole clubbed 1,2,3-triazole hybrids were designed and synthesized via Cu-catalysed azide-alkyne cycloaddition click reaction, taking into account the varied medicinal activities of indole, oxindole, and 1,2,3-triazole derivatives. The antimicrobial potential of each synthesized hybrid molecule was examined, and compound 5e showed the best antibacterial activity, particularly against Escherichia coli. Molecular docking study revealed the possible interactions of compound 5e with the active site of DNA gyrase, and SwissADME webserver analysis confirmed drug-likeness of the majority of synthetic compounds.
RESEARCH ON CHEMICAL INTERMEDIATES
(2023)
Article
Chemistry, Inorganic & Nuclear
Alexander Kastner, Theresa Mendrina, Florian Bachmann, Walter Berger, Bernhard K. Keppler, Petra Heffeter, Christian R. Kowol
Summary: In this study, oxaliplatin(iv)-based complexes were developed as platinum(iv) prodrugs to release aspirin, which has shown antitumor activity against colon cancer. The newly synthesized complex demonstrated increased reduction stability compared to a cisplatin analog and exhibited desired prodrug properties in cell culture. A derivative with albumin-binding properties showed improved pharmacokinetics and tumor accumulation, leading to enhanced antitumor activity and overall survival in tumor-bearing mice.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Biochemistry & Molecular Biology
Jing Li, Ru Si, Qingqing Zhang, Yanchen Li, Jie Zhang, Yuanyuan Shan
Summary: Based on the scaffold hybridization strategy, twenty-four indole-guanidines were designed and synthesized. Most of these hybrids exhibited moderate to high anti-proliferative activity against various cancer cells, especially human hepatoma cell lines. Selectivity investigation showed that the hybrids had the best selectivity for the SMMC-7721 subtype in human hepatoma cells. Particularly, compound 22 demonstrated potent inhibition against SMMC-7721 cells, inducing apoptosis and cell cycle arrest in a dose-dependent manner, while down-regulating the expression of specific proteins.
CHEMICO-BIOLOGICAL INTERACTIONS
(2022)
Review
Pharmacology & Pharmacy
Ashima Dhiman, Rupam Sharma, Rajesh K. Singh
Summary: Cancer, the second leading cause of death after heart disease, is characterized by the uncontrolled growth of cells. Targeting specific genes and proteins involved in the growth and survival of cancer cells has become a top priority in global research. Indole moiety, a combination of aromatic-heterocyclic compounds, has emerged as a promising scaffold for the development of anticancer drugs due to its bioavailability, unique chemical properties, and significant pharmacological behaviors. Recent advances in the medicinal chemistry of indole derivatives, including the synthesis of potential anticancer compounds and their mechanism of action, are discussed in this review.
ACTA PHARMACEUTICA SINICA B
(2022)
Article
Multidisciplinary Sciences
Motahareh Mortazavi, Masoomeh Eskandari, Fatemeh Moosavi, Tahereh Damghani, Mehdi Khoshneviszadeh, Somayeh Pirhadi, Luciano Saso, Najmeh Edraki, Omidreza Firuzi
Summary: This study designed and synthesized a series of targeted anticancer agents, evaluated their MET inhibitory effect and antiproliferative effects through experiments and analysis. The results showed that two compounds exhibited the best MET inhibitory capacity and antiproliferative effects, and induced apoptosis in MET overexpressing cells.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Nidhi Deswal, Ankita Shrivastava, Md Summon Hossain, Parveen Gahlyan, Rashim Bawa, Rinkoo Devi Gupta, Rakesh Kumar
Summary: A series of novel triazole linked isatin-dihydropyridine hybrids have been synthesized and tested for their anti proliferative activity against human cancer cell lines. Compound N2 showed the highest inhibitory action and may be an excellent drug-like candidate for further pursuit.
Article
Environmental Sciences
Gayathri Karanam, Madan Kumar Arumugam
Summary: The study demonstrated that CPT could inhibit DEN-induced HCC by reducing oxidative stress, increasing antioxidants, and modulating the PI3K/AKT signaling pathway. This suggests that CPT may exert its anticancer effects by stimulating apoptosis.
ENVIRONMENTAL TOXICOLOGY
(2022)
Article
Chemistry, Organic
Ananda Kumar Dunga, Tejeswara Rao Allaka, Yugandhar Kethavarapu, Sunil Kumar Nechipadappu, Pradeep Pothana, Chandrasekhar Kuppan, Pilli Veera Venkata Nanda Kishore
Summary: In this study, a method for synthesizing novel Aza indole 1,2,3-triazole scaffolds coupled to a tetrazole core was discovered and evaluated for their anticancer activity.
CURRENT ORGANIC SYNTHESIS
(2023)
Article
Chemistry, Organic
Hakan Kandemir, Samet Izgi, Irfan Cinar, Fatma Cebeci, Ebubekir Dirican, Mehmet F. Saglam, Ibrahim F. Sengul
Summary: In this study, a new series of indole-7-carbohydrazides were synthesized and their structures and antioxidant properties were confirmed. Among them, compound 12 showed cytotoxic effects on neuroblastoma, stomach, and breast cancer cells.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Musa Erdogan, Ferah Comert Onder
Summary: A library of novel anticancer molecules was designed and synthesized, and their anticancer potentials were tested in breast cancer cell lines. Compounds 13, 14, and 18 showed high cytotoxicity and blocked cell migration. Molecular docking and dynamics simulations suggested that these compounds could be potential inhibitor candidates. A pharmacophore model was generated and used to screen approved drugs for potential alternatives.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Yu Hong, Yuan-Yuan Zhu, Qiuqin He, Shuang-Xi Gu
Summary: This review summarizes the recent progress in the development of indole derivatives as tubulin polymerization inhibitors from 2010 to present. It provides useful clues and inspirations for the further design of outstanding inhibitors.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Review
Biochemistry & Molecular Biology
Mohd Adil Shareef, Irfan Khan, Bathini Nagendra Babu, Ahmed Kamal
CURRENT MEDICINAL CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
M. C. Blassioli-Moraes, A. Khrimian, M. F. F. Michereff, D. M. Magalhaes, E. Hickel, T. F. S. de Freitas, J. A. F. Barrigossi, R. A. Laumann, A. T. Silva, S. D. Guggilapu, C. C. Silva, J. Sant'Ana, M. Borges
JOURNAL OF CHEMICAL ECOLOGY
(2020)
Article
Chemistry, Organic
Gopathi Ramu, Yellaiah Tangella, Srinivas Ambala, Bathini Nagendra Babu
JOURNAL OF ORGANIC CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Kesari Lakshmi Manasa, Sowjanya Thatikonda, Dilep Kumar Sigalapalli, Arpita Sagar, Gaddam Kiranmai, Arunasree M. Kalle, Mallika Alvala, Chandraiah Godugu, Narayana Nagesh, Bathini Nagendra Babu
BIOORGANIC CHEMISTRY
(2020)
Article
Chemistry, Physical
Dilep Kumar Sigalapalli, Vidyasrilekha Yele, Srikanth Jupudi, Arbaz Sujat Shaikh, Manasa Kadagathur, Neelima D. Tangellamudi, Bathini Nagendra Babu
Summary: This study aims to explore the pharmacophoric features of several alpha-glucosidase inhibitors through computational approach, utilizing an atom-based 3D-QSAR technique to analyze the spatial arrangement and structural features required for alpha-glucosidase inhibition. A 3D model structure was reproduced for the target protein to assess the binding properties of the ligands with the protein through homology modelling techniques. Molecular dynamics simulations were performed to understand the conformational fluctuations and stability of ligands at the active pocket of the enzyme. These in silico results will aid in the discovery of alpha-glucosidase inhibitors with good pharmacophoric features and potency.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Medicinal
Gaddam Kiranmai, Priyanka N. N. Makhal, Ramya Tokala, Nagula Shankaraiah, Narayana Nagesh, Neelima D. D. Tangellamudi, Arbaz Sujat Shaikh, G. Parimala Devi, Dilep Kumar Sigalapalli, Venkata Rao Kaki, Bathini Nagendra Babu
Summary: A new series of mercaptoacetamide-linked pyrimidine-1,3,4-oxadiazole hybrids were designed and synthesized. The in vitro cytotoxic potential of these compounds was evaluated against various cancer cell lines, and compound 9p showed high potency and selectivity. The compound was found to inhibit the topoisomerase II enzyme and bind effectively with CT-DNA, leading to apoptosis. Molecular modeling studies confirmed the binding of compound 9p at the active site of the DNA-topoisomerase II complex. These findings suggest that mercaptoacetamide-linked pyrimidine-1,3,4-oxadiazole derivatives could be promising scaffold for the development of effective anticancer agents and topoisomerase II inhibitors.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2022)
Article
Biophysics
Parimala Devi Ganthala, Sateesh Alavala, Naveen Chella, Sai Balaji Andugulapati, Nagendra Babu Bathini, Ramakrishna Sistla
Summary: Erlotinib-based EGFR targeted therapy has shown significant clinical improvement against non-small cell lung cancer. However, the development of drug resistance limits its effectiveness. In this study, the combination of Erlotinib and Quercetin was found to be more synergistic against certain lung cancer cells compared to other natural products. By preparing drug-loaded nanoparticles, the encapsulation efficiency and release performance of the drugs were improved. The nanoparticles could reduce the expression of drug-resistant proteins, increase drug uptake, and induce apoptosis in drug-resistant cells. In vivo experiments also showed increased uptake of nanoparticles in lung tissue and decreased expression of cancer-related genes.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2022)
Article
Chemistry, Organic
A. V. G. Prasanthi, Bathini Nagendra Babu
Summary: A convenient and time efficient tandem approach for the synthesis of medicinally privileged 3-(3-oxo-3-arylpropyl) quinazolinones is developed using acetophenones and anthranilamide via microwave irradiation. The transition-metal-free reaction is initiated by oxidative annulation of anthranilamide and in situ generation of alpha,beta-unsaturated carbonyl compounds from aryl ketones in the presence of K2S2O8 and dimethyl sulfoxide. The reaction is carried out under microwave irradiation, which reduces the reaction time significantly compared to conventional heating reactions.
Article
Chemistry, Medicinal
Tukki Sarkar, Somarupa Sahoo, Suditi Neekhra, Milan Paul, Swati Biswas, Bathini Nagendra Babu, Rohit Srivastava, Akhtar Hussain
Summary: The combination of PDT and PTT shows significant therapeutic outcomes in cancer phototherapy. A new small-molecule mixed-ligand Ni(II)dithiolene complex, Ni-TDD, has been developed, which exhibits potent red-light PDT and near-infrared light PTT activity against cancer cells and 3D multicellular tumour spheroids (MCTSs).
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Dilep Kumar Sigalapalli, Gaddam Kiranmai, Ramya Tokala, Chaturvedula Tripura, Ramesh Ambatwar, Saiprasad N. Nunewar, Manasa Kadagathur, Nagula Shankaraiah, Narayana Nagesh, Bathini Nagendra Babu, Neelima D. Tangellamudi
Summary: A series of novel cytotoxic agents inspired by combretastatin A-4 were reported, with compound 7q showing the highest potency against A549 cells through induction of apoptosis and inhibition of tubulin polymerization. Molecular modeling studies revealed 7q's prominent binding affinity towards the alpha/beta-tubulin receptor with remarkable protein-ligand interactions.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Organic
Gopathi Ramu, Bheeshma Geetanjali Kodiripaka, Kalakonda Raga Chaitanya, Bathini Nagendra Babu
Summary: The metal-free domino approach for synthesizing various 8-hydroxy-2,8-dihydroindeno[2,1-c]pyrazoles is characterized by high efficiency, mild reaction conditions, greener solvent, scalability, broad substrate scope, high regioselectivity, and yields.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
S. Babu Dadinaboyina, Naga Veera Yerra, Bala Manikantha Adimoolam, Sivaramakrishna Parsa, Nagendra Babu Bathini, Jagadeshwar Reddy Thota
Summary: Remdesivir (RDV), a nucleoside analogue prodrug used to treat viral diseases, was subjected to stress testing under various conditions according to ICH guidelines. Degradation products were formed under acidic, basic and neutral hydrolysis, and oxidation stress conditions, while the drug remained stable under thermal and photolytic stress conditions. The structures of degradation products were identified using a UPLC/ESI-Q-TOF-MS/MS method.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Kesari Lakshmi Manasa, Sowjanya Thatikonda, Dilep Kumar Sigalapalli, Sowmya Vuppaladadium, Ganthala Parimala Devi, Chandraiah Godugu, Mallika Alvala, Narayana Nagesh, Bathini Nagendra Babu
RSC MEDICINAL CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Mohd Adil Shareef, Ganthala Parimala Devi, Sunitha Rani Routhu, C. Ganesh Kumar, Ahmed Kamal, Bathini Nagendra Babu
RSC MEDICINAL CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Mohd Adil Shareef, K. Sirisha, Irfan Khan, Ibrahim Bin Sayeed, Surender Singh Jadav, Gopathi Ramu, C. Ganesh Kumar, Ahmed Kamal, Bathini Nagendra Babu