Article
Biochemistry & Molecular Biology
Kok Tong Wong, Hasnah Osman, Thaigarajan Parumasivam, Unang Supratman, Mohammad Tasyriq Che Omar, Mohamad Nurul Azmi
Summary: Fourteen pyrazoline derivatives were synthesized through cyclo-condensation reactions, with compound 4a showing the most potent inhibitory activity with a MIC value of 17 μM. Six other synthesized compounds exhibited moderate activity, with MIC ranges between 60 μM to 140 μM. Compound 4a also showed good bactericidal activity, with a MBC value of 34 μM against Mycobacterium tuberculosis H37Ra.
Article
Chemistry, Organic
Gajanan Kottapalle, Nagesh Deshmukh, Avinash Shinde
Summary: A new series of pyrazolines derivatives containing isoniazid moiety were synthesized and evaluated for their antitubercular activity. The presence of disubstituted halogen compound and electron-withdrawing group on the phenyl ring was found to be important for increasing the antitubercular activity.
LETTERS IN ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Mayursinh Zala, Jwalant J. Vora, Vijay M. Khedkar
Summary: To enhance the effectiveness of antitubercular drugs, a series of novel pyrazolylpyrazoline derivatives were synthesized through a one-pot multicomponent reaction. The green synthesis method offered advantages such as simplicity and shorter reaction time. Among the compounds tested, 9i, 9k, 9l, 9o, and 9p showed the highest efficacy against Mycobacterium tuberculosis H(37)Rv. Structural determination of the newly synthesized compounds was conducted using spectral methods. Molecular docking studies revealed strong binding affinities between these compounds and the active site of mycobacterial InhA enzyme.
Article
Chemistry, Medicinal
Rui Shi, Bin Wang, Giovanni Stelitano, Xiaomei Wu, Yuanyuan Shan, Yue Wu, Xin Wang, Laurent R. Chiarelli, Yu Lu, Chunhua Qiao
Summary: This study found that by introducing a methanesulfonyl substituent at the 6-position, the physicochemical properties of 8-nitrobenzothiazinone derivatives (BTZs) can be improved, leading to increased aqueous solubility and metabolic stability. Among these derivatives, MsPBTZ169 and compounds 2 and 8 showed low minimum inhibitory concentrations (MICs), indicating high antitubercular activity.
ACS MEDICINAL CHEMISTRY LETTERS
(2022)
Review
Chemistry, Physical
Bulti Bakchi, Ambati Dileep Krishna, Ekambarapu Sreecharan, Veeramallu Bala Jaya Ganesh, Muraboina Niharika, Suryadevara Maharshi, Srinivasa Babu Puttagunta, Dilep Kumar Sigalapalli, Richie R. Bhandare, Afzal B. Shaik
Summary: In silico techniques, particularly the SwissADME tool, have gained popularity in small molecule drug discovery. This tool allows for hit generation, interaction pattern determination, and prediction of physicochemical and pharmacokinetic parameters. This article discusses the role of SwissADME in the design and development of anticancer, antitubercular, and antimicrobial agents.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Allergy
Ji Hyun Oh, James Yun, Min-Suk Yang, Jung-Hyun Kim, Sae-Hoon Kim, Sujeong Kim, Jeong-Hee Choi, Jae-Joon Yim, Hye-Ryun Kang
Summary: Resuming anti-TB medication based on desensitization protocols may be a safe and effective option for patients with anti-TB drug-related DRESS.
JOURNAL OF ALLERGY AND CLINICAL IMMUNOLOGY-IN PRACTICE
(2021)
Article
Biochemistry & Molecular Biology
Teymour Vahedpour, Jatinder Kaur, Salar Hemmati, Maryam Hamzeh-Mivehroud, Ali Akbar Alizadeh, Frank Wuest, Siavoush Dastmalchi
Summary: A new series of compounds for the inhibition of COX-2 were synthesized, with the lead compound showing significant COX-2 inhibition and antiproliferative activity. Molecular docking studies indicated that these compounds interact with key binding site residues of the COX-2 enzyme via multiple hydrophobic and hydrogen-bond interactions.
CHEMISTRY & BIODIVERSITY
(2021)
Article
Immunology
Matthew L. Romo, Ellen Brazier, Dominique Mahambou-Nsonde, Renee De Waal, Christine Sekaggya-Wiltshire, Cleophas Chimbetete, Winnie R. Muyindike, Gad Murenzi, Cordelia Kunzekwenyika, Thierry Tiendrebeogo, Josephine A. Muhairwe, Patricia Lelo, Anastase Dzudie, Christelle Twizere, Idiovino Rafael, Oliver C. Ezechi, Lameck Diero, Marcel Yotebieng, Lukas Fenner, Kara K. Wools-Kaloustian, N. Sarita Shah, Denis Nash
Summary: Dolutegravir is widely prescribed for people with HIV and tuberculosis co-infection in sub-Saharan Africa, despite the drug-drug interaction with rifampicin requiring dose adjustment. However, a cohort study revealed that dolutegravir did not negatively impact viral suppression in these patients.
JOURNAL OF THE INTERNATIONAL AIDS SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Komal G. Sangu, Saiprasad Dasugari Varakala, Eruva Vamshi Krishna, Abdul Akhir, Deepanshi Saxena, Mohammad Naiyaz Ahmad, Sidharth Chopra, Sunil Misra, Dharmarajan Sriram, Haridas B. Rode
Summary: Anilinopyridine derivatives were synthesized and evaluated for their activity against Mycobacterium tuberculosis H37Rv. The study revealed the importance of the free -NH2 group on the pyridine ring for antitubercular activity. Promising leads 16e, 16i, and 16o were identified, along with other compounds exhibiting anti-TB activity. Physico-chemical and ADMET properties of the derivatives were also studied, showing that they fulfill Lipinski's rule of five for drug-likeness.
Review
Immunology
Nidhi Nainwal, Yuwanshi Sharma, Vikash Jakhmola
Summary: Despite advancements in medical and pharmaceutical fields, tuberculosis remains a global health problem. Utilizing a noninvasive pulmonary route for drug delivery can improve treatment efficacy and reduce adverse effects. Dry powder inhalers (DPIs) are advantageous due to their stability and ability to deliver high drug doses to the lungs. This review discusses the modern therapeutic approach of inhaled dry powders, specifically focusing on novel drug delivery system (NDDS) based DPIs for tuberculosis treatment. The challenges of preparing inhalable dry powder formulations for tuberculosis treatment and the clinical development of inhalable anti-TB drugs are also reviewed.
Article
Chemistry, Organic
Silja Hofmann, Martin Linden, Julian Neuner, Felix N. Weber, Siegfried R. Waldvogel
Summary: This article presents an electrochemically enabled approach for the sustainable synthesis of pyrazoles via oxidative aromatization of pyrazolines. It utilizes inexpensive sodium chloride as a redox mediator and supporting electrolyte in a biphasic system (aqueous/organic), and can be conducted using carbon-based electrodes in a simple electrolysis set-up. The method allows for simple work-up strategies such as extraction and crystallization, enabling its application on a technically relevant scale.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Engineering, Biomedical
Mallikarjun Vasam, Rama Krishna Goulikar
Summary: Tuberculosis is the largest infectious disease among adults globally, impacting both the social and biological lives of patients as well as the economic burden on healthcare systems. The current treatment regime faces challenges with drug-resistant strains and the failure of standard interventions. In recent years, nanocarrier-based drug delivery systems, including lipid-based systems, have been developed to improve therapeutic outcomes. While promising results have been shown, clinical translation of these systems is still under investigation.
JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION
(2023)
Article
Chemistry, Multidisciplinary
Martin Linden, Silja Hofmann, Antonia Herman, Nicole Ehler, Robin M. M. Baer, Siegfried R. R. Waldvogel
Summary: This study presents the first electrochemical approach for the direct synthesis of pyrazolines and pyrazoles from easily accessible hydrazones and dipolarophiles. The method allows for large-scale production and even conversion of highly sensitive alkenes. The use of a biphasic system with sodium iodide as a supporting electrolyte and mediator is cost-effective. Mechanistic insight is provided by the isolation of key intermediates, and the synthesis of a commercial herbicide safener further highlights the significance of this reaction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Medicinal
Dimitris Matiadis, Tatiana Saporiti, Elena Aguilera, Xavier Robert, Christophe Guillon, Nallely Cabrera, Ruy Perez-Montfort, Marina Sagnou, Guzman Alvarez
Summary: In this study, a small library of functionalized compounds derived from curcuminoids were synthesized and evaluated for their trypanosomicidal activities. Compounds 4a and 4e showed significant activity against epimastigotes of Trypanosoma cruzi, while compound 6b effectively inhibited T. cruzi triosephosphate isomerase, demonstrating their potential as a new family of T. cruzi inhibitors with up to 16-fold higher potency compared to their curcuminoid precursors.
FUTURE MEDICINAL CHEMISTRY
(2021)
Review
Chemistry, Medicinal
Vladimir Finger, Martin Kufa, Ondrej Soukup, Daniele Castagnolo, Jaroslav Roh, Jan Korabecny
Summary: This review provides an overview of recent advances in the hit-to-lead drug discovery studies of pyrimidine-containing compounds with antitubercular activity, focusing on their structural diversity. The review discusses the targets and structure-activity relationships of different pyrimidine families in the first part and categorizes unexplored or speculative targets of antitubercular pyrimidine derivatives based on their structural types in the second part.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Organic
Mohamed Jawed Ahsan, Mohammad Yusuf, Salahuddin, Md Afroz Bakht, Mohamad Taleuzzaman, Bharat Vashishtha, Arunkumar Thiriveedhi
Summary: A green and efficient catalyst-free synthesis of 4'-(substituted phenyl)spiro[indoline-3,3'-[1,2,4]triazolidine]-2,5'-diones was reported, with excellent yields. The one-pot multi-component synthesis in a glycerol-water solvent system showed environmental friendliness and simplicity. The synthesized compounds exhibited significant antibacterial, antifungal, and antitubercular activities, with 4'-(4-chlorophenyl)spiro[indoline-3,3'-[1,2,4]triazolidine]-2,5'-dione as the most potent compound in the series.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Review
Cardiac & Cardiovascular Systems
Md Sayeed Akhtar, Md Quamrul Hassan, Aisha Siddiqui, Sirajudeen S. Alavudeen, Obaid Afzal, Abdulmalik S. A. Altamimi, Syed Obaidur Rahman, Mallika Khurana, Mohamed Jawed Ahsan, Arun Kumar, Fauzia Tabassum
Summary: Inotropic agents are commonly used in patients with acute decompensated heart failure, but their use is limited due to certain pharmacological constraints. Calcium ion sensitisers, such as levosimendan, show promise as emerging therapeutic alternatives by increasing the sensitivity of cardiomyocytes to calcium ions. Levosimendan has unique pharmacology that justifies its use in a wide range of heart failure cases and cardiac surgeries, and it has been reported to be more effective than classical inotropes in maintaining cardiac mechanical efficacy and reducing congestion.
Review
Chemistry, Organic
Abhishek Shankar Sharma, Salahuddin, Avijit Mazumder, Rajnish Kumar, Vimal Datt, Km Shabana, Sonakshi Tyagi, Mohammad Shahar Yar, Mohamed Jawed Ahsan
Summary: Due to their diverse applications, quinoline and 1,3,4-oxadiazole have become important heterocyclic compounds in industrial and synthetic organic chemistry. They have shown potential in various medical conditions and synthetic protocols have been developed to explore their structure-activity relationship for further research.
CURRENT ORGANIC SYNTHESIS
(2023)
Review
Biochemistry & Molecular Biology
Vikas Pradhan, Salahuddin Salahuddin, Rajnish Kumar, Avijit Mazumder, Mohammad Mustaqeem Abdullah, Mohammad Shahar Yar, Mohamed Jawed Ahsan, Zabih Ullah
Summary: Cancer is a leading cause of death worldwide, posing substantial risks to society and individuals. Despite advances in cancer prevention, therapy remains challenging. Therefore, continuous research is being conducted to search for novel anticancer agents with broader cytotoxicity range. Quinoline derivatives, which are double ring structures of the heterocyclic aromatic nitrogen molecule formed by the fusion of a benzene ring and a pyridine ring at two carbon atoms close to each other, have been found to possess a wide range of pharmacological activities, including anticancer properties. Many quinoline derivatives are available as anticancer drugs, targeting various molecular mechanisms such as topoisomerase inhibition, tyrosine kinases inhibition, heat shock protein 90 (Hsp90) inhibition, histone deacetylases (HDACs) inhibition, cell cycle arrest and apoptosis inhibition, and tubulin polymerization inhibition.
CHEMICAL BIOLOGY & DRUG DESIGN
(2023)
Article
Education, Scientific Disciplines
Pushkar Kumar Ray, Salahuddin, Avijit Mazumder, Rajnish Kumar, Mohamed Jawed Ahsan, Mohammad Shahar Yar
Summary: This research aims to design and synthesize novel compounds containing pyrazoline moiety with enhanced anticonvulsant activity. The compounds were docked against the active site of human mitochondrial branched-chain aminotransferase to investigate their potential. The study successfully synthesized a series of pyrazoline derivatives and identified compounds with potent anticonvulsant activity.
INDIAN JOURNAL OF PHARMACEUTICAL EDUCATION AND RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Bharti Chauhan, Rajnish Kumar, Himanshu Singh, Obaid Afzal, Abdulmalik Saleh Alfawaz Altamimi, Mohd Mustaqeem Abdullah, Mohammad Shahar Yar, Mohamed Jawed Ahsan, Neeraj Kumar, Sanjay Kumar Yadav, Sanjay Kumar Yadav
Summary: In this study, a new series of benzothiazole compounds were synthesized and evaluated for their anticonvulsant potential both in vivo and in silico. The results showed that compounds 6f, 6h, 6j, and 6l exhibited the highest potency without neurotoxicity compared to conventional drugs. In silico studies also revealed different binding interactions of the synthesized compounds with target receptors, suggesting their mode of action in binding to VGCC and NMDA receptors.
Article
Biochemistry & Molecular Biology
Md. Afroz Bakht, Thangaiyan Pooventhiran, Renjith Thomas, Mehnaz Kamal, Israf Ud Din, Najeeb Ur Rehman, Imtiaz Ali, Noushin Ajmal, Mohamed Jawed Ahsan
Summary: Phospholipase A2 (PLA2) promotes inflammation by releasing arachidonic acid (AA), and its elevated level is associated with various diseases. Inhibiting PLA2 can be a potential strategy for treating inflammation by blocking the AA cascade. An efficient method for synthesizing octahydroquinazolinone compounds has been developed, and two compounds show strong inhibitory effects against PLA2 and protease.
Article
Chemistry, Multidisciplinary
Km. Shabana, Salahuddin, Avijit Mazumder, Himanshu Singh, Rajnish Kumar, Sonakshi Tyagi, Vimal Datt, Abhishek Shankar Sharma, Mohammad Shahar Yar, Mohamed Jawed Ahsan, Ranjeet Kumar Yadav
Summary: This study synthesized a series of new quinoline-bearing amino acid-derived benzimidazole derivatives. These compounds showed potent anticonvulsant activity, similar to phenytoin and carbamazepine, by inhibiting voltage-gated sodium channels and NMDA receptors. The development of nitrogen-containing hybrid heterocyclic compounds has the potential to contribute to the discovery and development of new drugs with improved efficacy, selectivity, and safety profiles.
Review
Environmental Sciences
Sheetal S. Kothawale, Lalit Kumar, Swatantra P. Singh
Summary: Microplastic and nanoplastic contamination is a critical ecological concern due to their persistent presence in the ecosystem and potential harmful effects. Current waste disposal methods negatively impact the environment, and recycling faces challenges. Degradation techniques, including biological and nanotechnologies, have been studied but are still relatively inefficient. Recent research has focused on using microbes to biodegrade these plastics. This review highlights the use of organisms and enzymes for the biodegradation of MPs and NPs and discusses the potential for future research.
ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Amena Ali, Abuzer Ali, Vivek Asati, Savas Kaya, Mohamed Jawed Ahsan
Summary: This study synthesized a series of benzylidene-linked thia-zolidine-2,4-dione compounds and evaluated their potential antidiabetic properties. Among the compounds examined, compound 4c emerged as the most promising candidate, exhibiting the highest PPAR-gamma agonistic activity and demonstrating commendable in-vivo performance in lowering blood glucose levels. These findings highlight its potential as a potent protein inhibitor and open new avenues for the intelligent design of molecules with high efficacy in managing hyperglycemia.
JOURNAL OF THE INDIAN CHEMICAL SOCIETY
(2023)
Review
Chemistry, Medicinal
Sonakshi Tyagi, Salahuddin, Avijit Mazumder, Rajnish Kumar, Vimal Datt, Km Shabana, Mohammad Shahar Yar, Mohamed Jawed Ahsan
Summary: Quinoline has recently gained importance in industrial and synthetic organic chemistry, due to its widespread applications. Quinoline derivatives have been used in clinical trials for various cancer-related medical conditions. This review focuses on recent progress in the synthesis of novel quinoline derivatives as potential anti-cancer agents, as well as their structure-activity relationship, providing valuable insights for future research and development.
MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Obaid Afzal, Amena Ali, Abuzer Ali, Abdulmalik Saleh Alfawaz Altamimi, Manal A. Alossaimi, Md Afroz Bakht, Mubarak A. Salahuddin, Mubarak A. Alamri, Md. Faiyaz Ahsan, Mohamed Jawed Ahsan, Ki-Young Kim, Rozangela Curi Pedrosa
Summary: We synthesized and evaluated a series of new 4-chloro-2-((5-aryl-1,3,4-oxadiazol-2-yl)amino)phenol analogues (6a-h) as potential anticancer and antibacterial agents. The compounds demonstrated significant anticancer activity against specific cancer cell lines and efficient binding to the active site of the target protein. 4-Chloro-2-((5-(4-nitrophenyl)-1,3,4oxadiazol-2-yl)amino)phenol (6c) showed the most promising antibacterial activity against both Gram-negative and Gram-positive bacteria.
Article
Biochemistry & Molecular Biology
Mohamed Jawed Ahsan, Krishna Gautam, Amena Ali, Abuzer Ali, Abdulmalik Saleh Alfawaz Altamimi, S. V. V. N. S. M. Salahuddin, Manal A. Alossaimi, S. V. V. N. S. M. Lakshmi, Md. Faiyaz Ahsan
Summary: In this study, the synthesis, characterization, anticancer activity, molecular docking studies, ADME, and toxicity prediction of ten new 5-(3-Bromophenyl)-N-aryl-4H-1,2,4-triazol-3-amine analogs were described. Some of the compounds demonstrated significant anticancer activity against certain cancer cell lines, with compound 4i showing the most promising results. The compounds also exhibited efficient binding affinities and low toxicity according to the ADME and toxicity prediction studies.
Article
Chemistry, Multidisciplinary
Mohit Agarwal, Obaid Afzal, Abdulmalik Saleh Alfawaz Salahuddin, Abdulmalik Saleh Alfawaz A. Altamimi, Mubarak A. Alamri, Manal Alossaimi, Vandana Sharma, Mohamed Jawed Ahsan
Summary: In this study, 10 new 1,3,4-oxadiazole analogues were prepared using scaffold hopping technique. These compounds exhibited promising anticancer activity and low toxicity. Molecular docking and dynamic simulation studies confirmed their ability to bind with target proteins.
Article
Chemistry, Organic
Devleena Tiglani, Salahuddin, Avijit Mazumder, Rajnish Kumar, Mohammad Shahar Yar, Mohamed Jawed Ahsan, Km Shabana
Summary: Both benzimidazole and quinoline pharmacophores have shown diverse activities against various diseases. This research successfully synthesized novel derivatives combining these two nuclei and evaluated their anticonvulsant, antidepressant, and anticancer activities. The compounds showed promising results in inhibiting seizures in mice and inhibiting the growth of leukemia and renal cancer cells.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Medicinal
Shibin Zhao, Julian Maceren, Mia Chung, Samantha Stone, Raphael Geiben, Melissa L. Boby, Bradley S. Sherborne, Derek S. Tan
Summary: Antibiotic resistance is a major threat to public health, with Gram-negative bacteria presenting unique challenges due to their low permeability and efflux pumps. Limited understanding of the chemical rules for overcoming these barriers hinders antibacterial drug discovery. Efforts to address this issue, such as screening compound libraries and using cheminformatic analysis, have led to the design of sulfamidoadenosines with diverse substituents, showing potential utility in accumulation in Escherichia coli.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Jichun Li, Qing Li, Shuai Xia, Jiahuang Tu, Longbo Zheng, Qian Wang, Shibo Jiang, Chao Wang
Summary: This study successfully developed a short peptide mimetic as a MERS-CoV fusion inhibitor by reproducing the key recognition features of the HR2 helix. The resulting 23-mer lipopeptide showed comparable inhibitory effect to the 36-mer HR2 peptide HR2P-M2. This has important implications for developing short peptide-based antiviral agents to treat MERS-CoV infection.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Krista Jaunsleine, Linda Supe, Jana Spura, Sten van Beek, Anna Sandstrom, Jessica Olsen, Carina Halleskog, Tore Bengtsson, Ilga Mutule, Benjamin Pelcman
Summary: Beta(2)-adrenergic receptor agonists can stimulate glucose uptake by skeletal muscle cells and are therefore potential treatments for type 2 diabetes. The chirality of compounds has a significant impact on the activity of these agonists. This study found that certain synthesized compounds showed higher glucose uptake activity. These findings provide important information for the design of novel beta(2)AR agonists for T2D treatment.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Xin Xu, Jia Chen, Guan Wang, Xiaojuan Zhang, Qiang Li, Xiaobo Zhou, Fengying Guo, Min Li
Summary: The study focuses on EZH2, a promising therapeutic target for various types of cancers. Researchers designed and synthesized a series of novel derivatives aiming to enhance the EZH2 inhibition activity. Among them, compound 28 displayed potent EZH2 inhibition activity and showed high anti-proliferative effects in lymphoma cell lines and xenograft mouse models. The study suggests that compound 28 has potential as a therapeutic candidate for EZH2-associated cancers.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Wei Zhang, Wei Liu, Ya-Dong Zhao, Li-Zi Xing, Ji Xu, Rui-Jun Li, Yun-Xiao Zhang
Summary: This study developed a series of aromatic amide derivatives based on Rhein and investigated their inhibitory activity against alpha-Syn aggregation. Two of these compounds showed promising potential in treating Parkinson's disease by stabilizing alpha-Syn's conformation and disassembling alpha-Syn oligomers and fibrils.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
Article
Chemistry, Medicinal
Mani Sharma, S. S. S. S. Sudha Ambadipudi, Neeraj Kumar Chouhan, V. Lakshma Nayak, Srihari Pabbaraja, Sai Balaji Andugulapati, Ramakrishna Sistla
Summary: Therapeutically active lipids in drug delivery systems can enhance the safety and efficacy of treatment. The liposome formulation created using synthesized biologically active lipids showed additive anti-cancer effects and reduced tumorigenic potential.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2024)
