http://nopr.niscpr.res.in/handle/123456789/66223 Sat, 10 Oct 2026 10:11:54 GMT 2026-10-10T10:11:54Z http://nopr.niscpr.res.in/handle/123456789/66233 Title: CRISPR/Cas systems in therapeutics: Transforming gene editing into medical solutions Authors: Chauhan, Maniket; Mahendru, Aryan; Uppal, Komal; Shyama Prasad Rao, R; Suravajhala, Prashanth; K Polipalli, Sunil Abstract: The clustered regularly interspaced short palindromic repeats (CRISPR)/CRISPR- associated (Cas) systems are known for their innate ability to provide adaptive immunity against viruses and plasmids in bacteria and archaea. With research and development, versatility of CRISPR/Cas systems has been employed in gene editing technology enabling precise and efficient gene manipulation, and has been harnessed extensively in both diagnostics and therapeutics. CRISPR/Cas system is useful whether in correcting monogenic disorders caused by point mutations, cancer-associated gene alterations, or countering viral diseases. While disease treatment is primary, these systems are also being implemented for designing animal models for research purposes. This comprehensive review aims to provide researchers with an in-depth understanding of various CRISPR/Cas systems, highlighting their applications in the treatment and diagnostics of a range of diseases and disorders. Page(s): 813-826 Fri, 01 Aug 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66233 2025-08-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/66232 Title: In silico exploration of selected coumarin derivatives as potential antioxidant: Insights from DFT, NBO, Hirshfeld surface, ADMET profiling, Molecular docking and Dynamics simulations Authors: Barman, Rituraj; Ahmed, Benzir; Deka, Hemchandra; Barukial, Pratyashee; Baishya, Debabrat; Bezbaruah, Bipul Abstract: Coumarin derivatives have been explored as highly promising antioxidants due to their significant binding mechanisms with radicals and protein residues. Herein, we have selected a few bioactive coumarin derivatives to investigate their effectiveness in complexation with alkoxy (RO•) and hydroperoxyl (HOO•) radicals as well as with carbonic anhydrase VII (CA VII) protein. To gain further insights, in silico studies viz., DFT, pharmacokinetic evaluation (ADMET) and drug-likeness assessments, etc., are useful to analyze the complex formation mechanism with radicals and protein residues. Again, Molecular Electrostatic Potential (MEP), Spin Density (SD) and Natural Bond Orbital (NBO) studies display superior binding interactions with the protein residues characterized by conventional H-bonding along with other hydrophobic interactions. Moreover, molecular docking, dynamics and physicochemical analysis reveal that all coumarin derivatives interact effectively within the internal cavity of CA VII, detailing binding affinities and specific protein residues involved. Page(s): 827-853 Fri, 01 Aug 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66232 2025-08-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/66231 Title: Identification and in silico impact assessment of missense mutations in key genes associated with hypoxic stress in Changthangi goats Authors: Chhabra, Pooja; Arora, Reena; Ahlawat, Sonika; Gera, Ritika; Bagiyal, Meena; Sharma, Upasna; Parsad, Ram Abstract: In order to enhance breeding programs and boost genetic features related to disease resistance, productivity and adaptability, it is essential to predict harmful mutations in livestock animals. The genetic adaptations enabling Changthangi goats to thrive in high-altitude environments are essential for their survival in conditions marked by hypoxia, extreme temperatures and oxidative stress. Therefore, in this study, missense mutations were mined within key candidate genes, namely CXCL9, MRPL22 and SDS involved in hypoxic stress, in Changthangi goats to assess their potential effects on the structural integrity of the proteins. Two SNPs (rs653275315, rs654804090) were identified with significant impacts on protein structure and stability, while one SNP (rs644425445) was categorized as benign. The SNP rs654804090 introduced changes in hydrophobicity, impairing protein stability, whereas rs653275315 affected conserved domains critical for function. Structural analyses revealed that the identified mutations disrupted protein folding, stability and molecular interactions, particularly in highly conserved residues, underscoring their evolutionary significance. Phylogenetic conservation analysis further highlighted the adaptive relevance of these mutations, particularly in regions subjected to environmental stressors. Our findings reveal potentially detrimental mutations in the genes CXCL9, MRPL22 and SDS, which may contribute to the development of genetic screening tools for selective breeding initiatives especially in high-altitude settings where genetic resistance to environmental stress is essential. Page(s): 854-860 Fri, 01 Aug 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66231 2025-08-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/66230 Title: Green synthesis, structural characterization, DFT, molecular docking and biological evaluation of some novel anti-cancer compounds Authors: Dhanalakshmi, E; Rajesh, P; Anbarasu, M; Raaza, Arun; Prabhaharan, M Abstract: The natural therapeutic properties of pharmacological compounds are used to treat numerous illnesses and various cancer therapies in traditional medicine. In this context, the herbal leaves of Hybanthus enneaspermus, Aegle marmelos and the flowers of Calotropis gigantea were examined by gas chromatography-mass spectrometry (GC-MS) analysis. The results exposed Hybanthus enneaspermus, Aegle marmelos leaves and Calotropis gigantea flowers contain many anti-bacterial, anti-inflammatory and anti-cancer (Prostate cancer, Renal cell carcinoma, Leukemia, colon, skin, colon, liver, prostate, and apoptosis) activity. Thus, there is a higher amount of strong cancer therapy properties present within Calotropis gigantean extract than leaves of Hybanthus enneaspermus, Aegle marmelos in natural medicine. The compounds revealed the potential to cure cancer treatment conformed through molecular docking by using cancer receptors for predicted binding affinity. The crystal structure of 8D59 (METTL1) and ligands were obtained from the Protein Database and PubChem server, ChemDraw Ultra 12.0 software. Among the compounds exhibit the best binding affinity of -8.83 kcal/mol concerning 3', 8, 8'-Trimethoxy-3-piperidyl-2, 2'-binaphthalene-1, 1', 4, 4'-tetrone. These components express ADME properties and also satisfy Lipinski's rules for oral bioavailability. The optimized geometry structure of the bond angle and bond length of seventeen compounds has been obtained by DFT/B3LYP/6-311++G(d, p) set in Gaussian 09W software. Page(s): 861-881 Fri, 01 Aug 2025 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/66230 2025-08-01T00:00:00Z